DOCSLIB.ORG

Spectrophotometric Studies on Electron- Donor-Acceptor

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
Spectrophotometric Studies on Electron- Donor-Acceptor Indian Journal of Chemistry Vol. 27 A, November 1988, pp, 994-996 Spectrophotometric Studies on Electron- All the aromatic hydrocarbons and TBPA have ap- Donor-Acceptor Complexes of Aromatic preciable absorption in the CT region. Therefore, CT Hydrocarbons with Tetrabromophthalic bands of all the EDA complexes were obtained by dif- Anhydride ference spectra. The spectral and thermodynamic da- ta of the EDA complexes studied presently are given in Table 1.The vCT is linearly related to the ionization PC DWIVEDI*, NISHI SHARMA & ARCHANA SRIVAS- potential (Ip) for most of the donors studied (Fig. 1), TAVA indicating the validity of the Mulliken's original rela- Department of Chemistry, H,S, Technological Institute, Kanpur 208 002 tionship" hv CT = Ip - E + C + a/(Ip - E + C) to all the Received 16 October 1987; revised 17 January 1988; accepted complexes studied (vCT is the absorption frequency of 27 January 1988 CT band, Ip is the ionization potential ofthe donor, E is the electron affinity of the acceptor and the term Electron donor-acceptor interactions between aromatic hydro- C + a/(Ip - E + C) takes into account the stabilization carbons, namely acenaphthene, pyrene, hexamethylbenzene, energy of the ion pair). It is evident from Table 1 that naphthalene, mesitylene, biphenyl and benzene as electron don- CT absorption maxima of EDA complexes generally ors and tetrabromophthalic anhydride as electron acceptor have been examined by electronic spectroscopy in carbon tetrachloride decrease with increase in Ip of the donor. While uncer- solution. The spectral and thermodynamic parameters of the com- tainties in the determination of /)"H in systems with plexes are reported. The hvCT-ionisation potential plot is found to small K-values would be large, the /)"Hvalues are esti- be linear. mated to be well within ± 10% even after accounting for all possible sources of error. Electron donor-acceptor (EDA) complexes be- If the electron donors in Table 1are considered in tween tetrachlorophthalic anhydride (TCPA) and three separate groups of methyl substituted (Group I), tertiary amines initiate polymerization I. It was felt phenyl substituted (Group II) and polynucelar hydro- that EDA complexes of tetrabromophthalic anhy- carbons (Group III), the complex stability order (as dride (TBPA) with a variety of electron donors may measured by K and /)"H) is: hexamethylbenzene > also act as initiators. Unfortunately, reports on EDA mesitylene > benzene (Group I) biphenyl > ben- interactions ofTBPA are scanty+'. The present study zene (Group II) acenaphthene > pyrene > naphtha- on the interaction of aromatic hydrocarbons with lene > benzene (Group III) The above orders satisfy TBPA forms a part of a broad programme aimed at the condition that lower the Ip higher is the stability of developing new EDA complexes as initiators in the complex. polymerisation, The half-band widths (/)"VIl2) increase with in- All the aromatic hydrocarbons, viz, benzene, bi- crease in complex strength (as measured by /)"H) and phenyl, mesitylene, naphthalene, hexamethylben- follow the above order with the exception of pyrene in zene, pyrene and acenaphthene, were purified by Group III. This direct relationship between /)"v 112 and crystallisation or fractional distillation. TBPA (Al- the strength of complexes was earlier7.8.9-12attribut- drich Chemicals, USA) was repeatedly crystallised ed to the large resonance interaction in the com- from benzene till identical absorption spectra were plexes. The values of e and the oscillator strength (f) of obtained in CCl4 with samples from successive crys- tallisation. Carbon tetrachloride (BDH, A R) was dri- ed and distilled before use. Spectral measurements were made on a Beckman D U spectrophotometer fitted with variable tempera- ture cell compartment and matched silica cells of 1em pathlength. Equilibrium formation constants (K) and molar extinction coefficients (s) of the EDA com- plexes were calculated graphically using the modified Scott equation", In evaluating K,Person's criteria' re- 7-7 8,' 13·5 8·9 garding donor concentrations were satisfied. The en- Ionization potential (ev) thai pies of formation (/)"H) were evaluated from the Fig. I-hvcT versus ionization potential (Jp) plots for EDA com- equilibrium constants at different temperatures in the plexes of aromatic hydrocarbons with (a) TBPA and (b) TCPA (the range of 293-313 K. numbers referto donors listed in Table 1) 994 NOTES Table I-Spectral and Thermodynamic Data for EDA Complexes of Aromatic Hydrocarbons with TBPA and TCPAia)in CCl4 Solution K:C' !:J.V !:J.V,d'X 10 Electron Ionisation Electron ACT E -!:J.H 12 f Donor potential acceptor'!" (nm) (dm'i.mol") (dm'mol-'cm-') (kcal mol- I ) (ern I Benzene 9.24 (i) 350 1.48 666 0.24 1243 0.003 8 (ii) 340 0.42 704 0.36 1115 0.003 Biphenyl 8.53 (i) 345 1.40 1071 1.4 1741 (U)06 10 (ii) 357 0.63 1666 2.9 2032 0.015 Mesitylene 8.39 (i) 350 3.3 1500 1.6 2152 0.014 8 (ii) 360 5.2 978 3.9 2164 0.019 Naphthalene 8.30 (i) 350 3.8 1000 3.0 2003 0.009 10 (ii) 362 2.3 1667 2.0 3409 0.026 Hexamethylbenzene 7.85 (i) 390 13.4 1409 7.0 4536 0.028 6 (ii) 400 12.1 1833 5.9 4845 0.038 Pyrene 7.82 (i) 425 9.0 1300 5.0 3323 0.013 8 (ii) 440 5.6 1333 2.8 6945 0.023 Acenaphthene 7.66 (i) 420 9.3 778 5.8 3652 0.012 6 (ii) 410 8.4 821 3.5 5403 0.019 '") Data from references (7) and (8) h) (i) TCPA, (ii) TBPA C) At 26°C; data are given at one temperature only for the sake of brevity. !d) The difference in the VeT values of TCPA and TBPA. EDA complexes, which provide a measure of the in- TCPA. Accordingly, the stability of the naphthalene tensity of CT band, follow the above order in the case + TEPA complex has been reported" to be higher of donors of Groups I and II. However, in the case of than that of naphthalene + TCPA complex. The va- the donors of Group III these values are in the order: lues of ACT' I1VI/2'E and fin Table 1are generally high- benzene < acenaphthene < pyrene < naphthalene. erfor the TEPA complexes than those for TCPA com- It is, thus, seen that the intensity of CT band in- plexes. The slope of the hv CT versus Ip plot, a, is small- creases for donors of Groups I and II as the strength of erforTEPA (0.6) than that for TCPA (0.75) (see Fig. interaction (as measured by 11H)increases. However, 1).It may be mentioned here that the values of 11v I/2' E intensity of CT band decreases as the strength of in- and f are known to increase with increase in the teraction increases in the case of donors of Group III strength of interaction for a number of EDA com- (with the exception of benzene ).Similar observations plexes7X<J-12.15.ln. Also, the smaller the a and the veT have been made earlier in some instances+'v.This ex- values the stronger is the resonance interaction 17. ceptional behaviour may possibly be due to the differ- Based on these observations, TEPA appears to be a ence in the overlap parameter (0) of the Mulliken's better electron acceptor than TCPA. However, the K original relationship for the three groups of donors. and I1H values (which are measure of the srability of It is known that for a series of EDA complexes of the EDA complexes) are generally higher for the donors of like structure with acceptors of, also of like TCPA complexes. This may be due to larger uncer- structures, the shift (I1v) should be constant. In Table tainty in the measurement of K and 11Hvalues in these 1,the I1v values of corresponding CT bands ofTCPA systems. and TBPA complexes (I1v represents the difference in vcr valuesofTCPAand TBPA)arenearlyconstant References indicating that the mode of interaction of both the ac- I Medvedev S S,Stavrova S D & Chikhacheva I P, Polim Simp, 1 ceptors in these complexes is the same. Similar ob- (1971) 144. servations have been made on structurally identical 2 Chakrabarti S K. Spectrochim Acta, 24A (1968) 790. chloranil and 2,3-dichloro- 5.o-dicyano- p-benzo- 3 Christodouleas N & McGlynn S P, J chem Phys, 40 ( 1964) quinone as acceptors 10.1". 166. 4 Scott R L, Reel Trav chim Phys-Bas Be/g, 75 (1956) 787. Nagy and coworkers 14 have estimated the electron affinity (E) ofTBPA to be 0.7 eV in a series dfEDA 5 Person W B, JAm chern Soc. 87 (1965) 167. 6 Mulliken R S, JAm chem Soc. 14 (1952)811. complexes with a common electron donor and closely 7 Dwivedi P C & Banga A K, Indian J Chem, 19A ( I Y~()) 15S. related electron acceptors. This value, being higher 8 Dwivedi P C & Gupta A, Proc Indian Acad Sci( Chem Scii. 93 than that for TCPA (0.58 eV) seems to suggest that (1984) 29. TBPA should be a better electron acceptor than 9 Dwivedi P C & Banga A K, Indian J Chem. 19A ( 198()) Y08. 995 INDIAN J. CHEM .. VOL. 27A. NOVEMBER 1988 10 Dwivedi P C, Gupta A & Banga A K, Curr Sci, S1 (1982) 651. 14 Nagy J B. Nagy 0 B & Bruylants A. J phvs Chem. 28 (1974) 11 Dwivedi PC,GuptaA& Banga AK, ClirrSci,Sl (1982) 1152. 980. 12 Mulliken R S & Person W B. Motecutar camplexestwuev In- 15 Daisey J M & Sonnessa AJ. J phys Chem. 76 (1972) 1895. terscience. New York) 1(61). 16 Dwivedi PC& BangaAK, Jinorgnucl Chem.
Load more

Recommended publications
  • Material Safety Data Sheet Hexamethylbenzene MSDS
    Material Safety Data Sheet Hexamethylbenzene MSDS# 96291 Section 1 - Chemical Product and Company Identification MSDS Name: Hexamethylbenzene Catalog Numbers: AC120570000, AC120570050, AC120570100, AC120570250 Synonyms: None known. Acros Organics BVBA Company Identification: Janssen Pharmaceuticalaan 3a 2440 Geel, Belgium Acros Organics Company Identification: (USA) One Reagent Lane Fair Lawn, NJ 07410 For information in the US, call: 800-ACROS-01 For information in Europe, call: +32 14 57 52 11 Emergency Number, Europe: +32 14 57 52 99 Emergency Number US: 201-796-7100 CHEMTREC Phone Number, US: 800-424-9300 CHEMTREC Phone Number, Europe: 703-527-3887 Section 2 - Composition, Information on Ingredients ---------------------------------------- CAS#: 87-85-4 Chemical Name: Hexamethylbenzene %: 99+ EINECS#: 201-777-0 ---------------------------------------- Hazard Symbols: None listed Risk Phrases: None listed Section 3 - Hazards Identification EMERGENCY OVERVIEW Caution! The toxicological properties of this material have not been fully investigated. May cause eye, skin, and respiratory tract irritation. Target Organs: None known. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. Section 4 - First Aid Measures Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower Eyes: eyelids. If irritation develops, get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and Skin: shoes. Get medical aid if irritation develops or persists. Ingestion: Do not induce vomiting.
    [Show full text]
  • Chlorinated and Polycyclic Aromatic Hydrocarbons in Riverine and Estuarine Sediments from Pearl River Delta, China
    Environmental Pollution 117 (2002) 457–474 www.elsevier.com/locate/envpol Chlorinated and polycyclic aromatic hydrocarbons in riverine and estuarine sediments from Pearl River Delta, China Bi-Xian Maia,*, Jia-Mo Fua, Guo-Ying Shenga, Yue-Hui Kanga, Zheng Lina, Gan Zhanga, Yu-Shuan Mina, Eddy Y. Zengb aState Key Lab Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, PO Box 1130, Guangzhou, Guangdong 510640, People’s Republic of China bSouthern California Coastal Water Research Project, 7171 Fenwick Lane, Westminster, CA 92683, USA Received 5 January 2001; accepted 3 July 2001 ‘‘Capsule’’: Sediments of the Zhujiang River and Macao Harbor have the potential to be detrimental to biological systems. Abstract Spatial distribution of chlorinated hydrocarbons [chlorinated pesticides (CPs) and polychlorinated biphenyls (PCBs)] and poly- cyclic aromatic hydrocarbons (PAHs) was measured in riverine and estuarine sediment samples from Pearl River Delta, China, collected in 1997. Concentrations of CPs of the riverine sediment samples range from 12 to 158 ng/g, dry weight, while those of PCBs range from 11 to 486 ng/g. The CPs concentrations of the estuarine sediment samples are in the range 6–1658 ng/g, while concentrations of PCBs are in the range 10–339 ng/g. Total PAH concentration ranges from 1168 to 21,329 ng/g in the riverine sediment samples, whereas the PAH concentration ranges from 323 to 14,812ng/g in the sediment samples of the Estuary. Sediment samples of the Zhujiang River and Macao harbor around the Estuary show the highest concentrations of CPs, PCBs, and PAHs. Possible factors affecting the distribution patterns are also discussed based on the usage history of the chemicals, hydrologic con- dition, and land erosion due to urbanization processes.
    [Show full text]
  • Iridium-Catalyzed Borylation of Arenes and Heteroarenes Via C–H Activation*
    Pure Appl. Chem., Vol. 78, No. 7, pp. 1369–1375, 2006. doi:10.1351/pac200678071369 © 2006 IUPAC Iridium-catalyzed borylation of arenes and heteroarenes via C–H activation* Tatsuo Ishiyama and Norio Miyaura‡ Division of Chemical Process Engineering, Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan Abstract: Direct C–H borylation of aromatic compounds catalyzed by a transition-metal complex was studied as an economical protocol for the synthesis of aromatic boron deriva- tives. Iridium complexes generated from Ir(I) precursors and 2,2'-bipyridine ligands effi- ciently catalyzed the reactions of arenes and heteroarenes with bis(pinacolato)diboron or pinacolborane to produce a variety of aryl- and heteroarylboron compounds. The catalytic cycle involves the formation of a tris(boryl)iridium(III) species and its oxidative addition to an aromatic C–H bond. Keywords: iridium catalyst; arylboron compounds; C–H activation; pinacolborane; bis(pina- colato)diboron. INTRODUCTION Aromatic boron derivatives are an important class of compounds, the utility of which has been amply demonstrated in various fields of chemistry. Traditional methods for their synthesis are based on the re- actions of trialkylborates with aromatic lithium or magnesium reagents derived from aromatic halides [1]. Pd-catalyzed cross-coupling of aromatic halides with tetra(alkoxo)diborons or di(alkoxo)boranes is a milder variant where the preparation of magnesium and lithium reagents is avoided [2,3]. Alternatively, transition-metal-catalyzed aromatic C–H borylation of aromatic compounds by pina- colborane (HBpin, pin = O2C2Me4) or bis(pinacolato)diboron (B2pin2) is highly attractive as a con- venient, economical, and environmentally benign process for the synthesis of aromatic boron com- pounds without any halogenated reactant, which has been studied extensively by Hartwig, Marder, and η4 Smith [4–6].
    [Show full text]
  • Determination of N-Octanol/Water Partition Coefficient for DDT-Related
    Chemosphere 83 (2011) 131–136 Contents lists available at ScienceDirect Chemosphere journal homepage: www.elsevier.com/locate/chemosphere Determination of n-octanol/water partition coefficient for DDT-related compounds by RP-HPLC with a novel dual-point retention time correction ⇑ ⇑ Shu-ying Han a, Jun-qin Qiao a, Yun-yang Zhang a, Li-li Yang b, Hong-zhen Lian a, , Xin Ge a, , Hong-yuan Chen a a Key Laboratory of Analytical Chemistry for Life Science (Ministry of Education of China), School of Chemistry & Chemical Engineering and Center of Materials Analysis, Nanjing University, 22 Hankou Road, Nanjing 210093, China b Nanjing Environmental Monitoring Center, 175 Huju Road, Nanjing 210013, China article info abstract Article history: n-Octanol/water partition coefficients (P) for DDTs and dicofol were determined by reversed-phase high Received 22 June 2010 performance liquid chromatography (RP-HPLC) on a C18 column using methanol–water mixture as Received in revised form 18 December 2010 mobile phase. A dual-point retention time correction (DP-RTC) was proposed to rectify chromatographic Accepted 5 January 2011 retention time (tR) shift resulted from stationary phase aging. Based on this correction, the relationship between log P and log kw, the logarithm of the retention factor extrapolated to pure water, was investi- gated for a set of 12 benzene homologues and DDT-related compounds with reliable experimental P as Keywords: model compounds. A linear regression log P = (1.10 ± 0.04) log k – (0.60 ± 0.17) was established with n-Octanol/water partition coefficient (P) w correlation coefficient R2 of 0.988, cross-validated correlation coefficient R2 of 0.983 and standard devi- RP-HPLC cv Dual-point retention time correction (DP- ation (SD) of 0.156.
    [Show full text]
  • (Pahs) in Urban Street Dust of Huanggang, Central China: Status, Sources and Human Health Risk Assessment
    Aerosol and Air Quality Research, 19: 221–233, 2019 Copyright © Taiwan Association for Aerosol Research ISSN: 1680-8584 print / 2071-1409 online doi: 10.4209/aaqr.2018.02.0048 Polycyclic Aromatic Hydrocarbons (PAHs) in Urban Street Dust of Huanggang, Central China: Status, Sources and Human Health Risk Assessment Jia Liu1, Jiaquan Zhang2*, Changlin Zhan2, Hongxia Liu2, Li Zhang2, Tianpeng Hu3, Xinli Xing3, Chengkai Qu4 1 School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China 2 School of Environmental Science and Engineering, Hubei Key Laboratory of Mine Environmental Pollution Control and Remediation, Hubei Polytechnic University, Huangshi 435003, China 3 State Key Laboratory of Biogeology and Environmental Geology, School of Environmental Studies, China University of Geosciences, Wuhan, 430074, China 4 College of Urban and Environmental Sciences, Northwest University, Xi'an 710127, China ABSTRACT Twenty-one street dust samples were collected in Huanggang City, Hubei Province, Central China. Sixteen priority polycyclic aromatic hydrocarbons (PAHs) were determined by gas chromatography–mass spectrometry (GC-MS). –1 –1 –1 Concentrations of ∑16PAHs ranged from 622.97 µg kg to 4340.67 µg kg with an average of 1862.10 µg kg . Among these PAHs, high-molecular-weight PAHs (four to six rings), which are the predominant PAH contributors in street dust, accounted for 55%–73% of the total PAHs. Mean concentrations of the PAHs among the four functional districts followed the order: education district > traffic area > business district > residential area. However, the individual PAH concentrations exhibited weak correlations with the total organic carbon. Based on the isomer ratios of the PAHs, biomass and coal combustion, and petroleum input were two key factors controlling PAH levels in this study.
    [Show full text]
  • The Absorption Spectra of Some Aromatic Compounds
    THE ABSORPTION SPECTRA OF SOME AROMATIC COMPOUNDS. Part L--Hydrocarbons. BY P. K. SESHAN. (From the lndia~z Association for the Cultivation of Scietzce, Calcutta.) Received December 29, 1935, (Communicated by Prof. K. S. Krishnan, msc.) 1. Introduction. TxE absorption spectra of benzene and some of its simple derivatives have been studied in great detail by I-Ienri x and his collaborators, and they yield much useffd information regarding the optical and other constants of the mole- cules. For molecules containing more than one benzene ring, the analysis of the spectrum is naturally more difficult. Some of the molecular constants, however, are easily obtained, as for example, the electronic frequencies of the molecule, and its vibration frequencies in the normal and in the excited states. It would be of interest to follow the progressive variation of these constants and of the general characteristics of the absorption bands, with the addition of extra benzene rings, both of the condensed and uncondensed types, in dif- ferent positions, and to interpret these variations in relation to the structure of these molecules. The present paper concerns itself with such a study. Several aromatic hydrocarbons are studied for their absorption spectra in the vapour state, and among them are (1) naphthalene, anthracene, and naphtha- ten4, with linear condensed benzene rings; (9~) phenauthrene, chrysene, and dibenzanthracene, with side condensed rings; (3) pyrene and perylene, with close-packed rings ; (6) acenaphthene, fluorene and fhtoranthene, with incom- plete rings; (5) diphenyl, terphenyl, diphenylmethane, dibenzyl, triphenyl- methane and triphenylbenzene, with uncondensed benzene rings ; and (8) durene and hexamethylbenzene. The results are discussed in relation to the struc- ture of the molecules and their characteristic electronic and vibrational frequencies.
    [Show full text]
  • Characterization of Polycyclic Aromatic Hydrocarbons (Pahs), Iron and Black Carbon Within Street Dust from a Steel Industrial City, Central China
    Aerosol and Air Quality Research, 16: 2452–2461, 2016 Copyright © Taiwan Association for Aerosol Research ISSN: 1680-8584 print / 2071-1409 online doi: 10.4209/aaqr.2016.02.0085 Characterization of Polycyclic Aromatic Hydrocarbons (PAHs), Iron and Black Carbon within Street Dust from a Steel Industrial City, Central China Jiaquan Zhang1,2*, Changlin Zhan1,2, Hongxia Liu1, Ting Liu1, Ruizhen Yao1, Tianpeng Hu1,3, Wensheng Xiao1, Xinli Xing3,4, Hongmei Xu5, Junji Cao2** 1 School of Environmental Science and Engineering, HubeiKeyLaboratory of Mine Environmental Pollution Controland Remediation, Hubei Polytechnic University, Huangshi 435003, China 2 KLACP, Institute of Earth Environment, Chinese Academy of Sciences, Xi'an 710075, China 3 SKLBEGE, School of Environmental Studies, China University of Geosciences, Wuhan 430074, China 4 Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ, United Kingdom 5 Department of Environmental Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China ABSTRACT Twenty-two street dust samples collected from a small steel city, central China, were analyzed for 16 USEPA priority PAHs to investigate the concentration, spatial distribution relationship with black carbon (BC) and Iron (Fe), and the source apportionment and to assess the health risk of these compounds. The mean contents of PAHs, BC and Fe were 4.43 µg g–1, 12837.97 mg kg–1, 70205.70 mg kg–1, respectively. The highest spot was in the surrounding of the E’zhou Steel Plant and the Steel Rolling Mill of E’zhou. The correlation analysis indicated that there was no obvious relationship between Fe with each other, the PAHs significantly correlated to black carbon (BC), which might be caused by the continuous emission sources of iron and steel production.
    [Show full text]
  • Polycyclic Aromatic Hydrocarbons in Atmospheric
    ORIGINAL RESEARCH https://doi.org/10.4209/aaqr.2020.06.0337 Polycyclic Aromatic Hydrocarbons in Atmospheric Aerosol and Air Quality PM2.5 during Winter Haze in Huang-gang, Central Research China: Characteristics, Sources and Health Risk Assessment 1 1 2 1 1 Mingming Shi , Tianpeng Hu , Yao Mao , Cheng Cheng , Weijie Liu , 1 1 1,2* 1,2 Qian Tian , Zhanle Chen , Xinli Xing , Shihua Qi 1 School of Environmental Studies, China University of Geosciences, Wuhan 430078, China 2 State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences, Wuhan 430078, China ABSTRACT Levels, compositions, sources and health risk of PM2.5-bound PAHs were measured at a regional monitoring site of Huang-gang in the winter of 2018. Samples were collected every morning, afternoon, evening and late night (LN). The average concentrations of PM2.5 and PAHs were 110.4 –3 –3 ± 48.3 µg m and 25.6 ± 12.0 ng m , respectively. The concentration of PM2.5 was in the order of evening > morning > afternoon > LN, while PAHs concentration was in the order of evening > LN > morning > afternoon. According to PM2.5 concentration and its changing trend, the haze can be divided into three stages: early (low concentration, January 13–15, EHZ), medium (high concentration, January 16–22, MHZ) and late (concentration decreased rapidly, January 23–24, LHZ). A positive correlation (P < 0.01) was observed between PM2.5 and ∑16PAHs concentration only in MHZ. Besides, PAHs concentration was positively related to NOx concentration, CO concentration and temperature but negatively correlated with RH, independent of O3 concentration.
    [Show full text]
  • Estimations of Octanol Solubility, Vapor Pressure, Octanol- Air Partition Coefficient, and Air-Water Partition Coefficient
    Estimations of Octanol Solubility, Vapor Pressure, Octanol- air Partition Coefficient, and Air-water Partition Coefficient Item Type text; Electronic Dissertation Authors Sepassi, Kia Publisher The University of Arizona. Rights Copyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author. Download date 28/09/2021 06:55:37 Link to Item http://hdl.handle.net/10150/194699 ESTIMATIONS OF OCTANOL SOLUBILITY, VAPOR PRESSURE, OCTANOL -AIR PARTITION COEFFICIENT, AND AIR -WATER PARTITION COEFFICIENT By Kia Sepassi ___________________________ Copyright © Kia Sepassi 2007 A Dissertation Submitted to the Faculty of the DEPARTMEN T OF PHARMACEUTICAL SCIENCES In Partial Fulfillment of the Requirements For the degree of DOCTOR OF PHILOSOPHY In the Graduate College THE UNIVERSITY OF ARIZONA 2007 2 THE UNIVERSITY OF ARIZONA GRADUATE COLLEGE As members of the Dissertation Committe e, we certify that we have read the dissertation prepared by Kia Sepassi entitled Estimations of Octanol Solubility, Vapor Pressure, Octanol -air Partition Coefficient, and Air -water Partition Coefficient and recommend that it be accepted as fulfill ing the dissertation requirement for the Degree of Doctor of Philosophy _______________________________________________________________________ Date: 01 -23 -2007 Samuel H. Yalkowsky, Ph.D. ___________________________________________________________
    [Show full text]
  • "Hydrocarbons," In: Ullmann's Encyclopedia of Industrial Chemistry
    Article No : a13_227 Hydrocarbons KARL GRIESBAUM, Universit€at Karlsruhe (TH), Karlsruhe, Federal Republic of Germany ARNO BEHR, Henkel KGaA, Dusseldorf,€ Federal Republic of Germany DIETER BIEDENKAPP, BASF Aktiengesellschaft, Ludwigshafen, Federal Republic of Germany HEINZ-WERNER VOGES, Huls€ Aktiengesellschaft, Marl, Federal Republic of Germany DOROTHEA GARBE, Haarmann & Reimer GmbH, Holzminden, Federal Republic of Germany CHRISTIAN PAETZ, Bayer AG, Leverkusen, Federal Republic of Germany GERD COLLIN, Ruttgerswerke€ AG, Duisburg, Federal Republic of Germany DIETER MAYER, Hoechst Aktiengesellschaft, Frankfurt, Federal Republic of Germany HARTMUT Ho€KE, Ruttgerswerke€ AG, Castrop-Rauxel, Federal Republic of Germany 1. Saturated Hydrocarbons ............ 134 3.7. Cumene ......................... 163 1.1. Physical Properties ................ 134 3.8. Diisopropylbenzenes ............... 164 1.2. Chemical Properties ............... 134 3.9. Cymenes; C4- and C5-Alkylaromatic 1.3. Production ....................... 134 Compounds ...................... 165 1.3.1. From Natural Gas and Petroleum . .... 135 3.10. Monoalkylbenzenes with Alkyl Groups 1.3.2. From Coal and Coal-Derived Products . 138 >C10 ........................... 166 1.3.3. By Synthesis and by Conversion of other 3.11. Diphenylmethane .................. 167 Hydrocarbons . .................. 139 4. Biphenyls and Polyphenyls .......... 168 1.4. Uses ............................ 140 4.1. Biphenyl......................... 168 1.5. Individual Saturated Hydrocarbons ... 142 4.2. Terphenyls......................
    [Show full text]
  • Pahs) in 2 Urban and Rural Areas of Southern Italian Soils
    Manuscript revised without track changes Click here to download Manuscript Manuscript_revised.docx Click here to view linked References 1 Source patterns and contamination level of Polycyclic Aromatic hydrocarbons (PAHs) in 2 urban and rural areas of Southern Italian soils 3 Matar Thiombane1*, Marcello Di Bonito2, Stefano Albanese1, Annamaria Lima1, Daniela Zuzolo3, 4 Roberto Rolandi1, Shihua Qi4, Benedetto De Vivo5 5 1. Department of Earth, Environment and Resources Sciences (DiSTAR), University of Naples “Federico II”, 6 Complesso Universitario di Monte Sant' Angelo, Via Cintia snc, 80126 Naples, Italy. 7 2. School of Animal, Rural and Environmental Sciences, Brackenhurst Campus Southwell NG25 0QF Nottingham 8 Trent University, Unites Kingdom. 9 3. Department of Science and Technology, University of Sannio, via dei Mulini 59/A, 82100 Benevento, Italy. 10 4. State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences, 430074 11 Wuhan, People’s Republic of China. 12 5. Pegaso University, Piazza Trieste e Trento 48, 80132 Naples & Benecon Scarl, Dip. Ambiente e Territorio, Via 13 S. Maria di Costantinopoli 104, 80138 Naples, Italy 14 * Corresponding author: Matar Thiombane, [email protected] 15 16 Abstract 17 Polycyclic aromatic hydrocarbons (PAHs) are a group of persistent organic pollutants (POPs). They 18 have been identified as a type of carcinogenic substance and are relatively widespread in environment 19 media such as air, water and soils, constituting a significant hazard for human health. In many parts of 20 the world, PAHs are still found in high concentrations despite improved legislation and monitoring, and it 21 is therefore vital defining their profiles, and assessing their potential sources.
    [Show full text]
  • Table S1: Chemical Species Used for Calculating Speciated OH Reactivity
    Table S1: Chemical species used for calculating speciated OH reactivity Compound/ Chemi- kM+OH [cm³ Instrument Compounds attributed to If no unambiguous Literature reference for Max. OH Comment protonated mass cal molecules-1 protonated mass compound reaction rate coefficent reactivity -1 (grey shaded formula s ] identification: during compounds are gas reaction rate AQABA standard calibrated coefficient derived [s-1] with low uncertainty) from… Alkanes Methane CH4 6.45E-15 Picarro Cavity IUPAC preferred value 0.35 ring-down spectroscopy instrument Ethane C2H6 2.40E-13 GC-FID IUPAC preferred value 0.26 Propane C3H8 1.10E-12 GC-FID IUPAC preferred value 1.33 2-Methylpropane C4H10 2.12E-12 GC-FID Atkinson and Arey, 2003 0.68 n-Butane C4H10 2.35E-12 GC-FID IUPAC preferred value 1.42 2-Methylbutane C5H12 3.60E-12 GC-FID Atkinson and Arey, 2003 0.92 n-pentane C5H12 3.80E-12 GC-FID Atkinson and Arey, 2003 1.03 2-Methylpentane C6H14 5.20E-12 GC-FID Atkinson and Arey, 2003 0.11 n-hexane C6H14 5.20E-12 GC-FID Atkinson and Arey, 2003 0.16 2,2,4- C8H18 3.34E-12 GC-FID Atkinson and Arey, 2003 0.004 Trimethylpentane n-heptane C7H16 6.76E-12 GC-FID Atkinson and Arey, 2003 0.06 Octane C8H18 8.11E-12 GC-FID Atkinson and Arey, 2003 0.04 Alkenes and Alkynes Ethene C2H4 7.50E-12 GC-FID IUPAC preferred value 2.26 Propene C3H6 2.90E-11 GC-FID IUPAC preferred value 1.11 trans-2-butene C4H8 6.40E-11 GC-FID IUPAC preferred value 0.11 1-Butene C4H8 3.14E-11 GC-FID IUPAC preferred value 0.26 1-Pentene C5H10 3.14E-11 GC-FID Atkinson and Arey, 2003 0.10 Isoprene C5H8 1.00E-10 GC-FID IUPAC preferred value 0.76 27.023 C2H2 7.50E-13 PTR-ToF-MS Ethyne IUPAC preferred value 0.001 41.0386 C3H4 6.95E-13 PTR-ToF-MS Propyne; 1,2-Propadiene average Warnatz, 1984; Atkinson and 0.27 Arey, 2003 67.0543 C5H6 5.16E-11 PTR-ToF-MS 1,3-Cyclopentadiene; 3- average Grosjean and Williams, 1992; 0.35 penten-2-yne Boodaghians et al., 1987 69.0699 C5H8 5.10E-11 PTR-ToF-MS 1-Pentyne; 1,2-Pentadiene; average Boodaghians et al., 1987; 1.92 C5 dienes.
    [Show full text]