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Gas Phase Formation of C-Sic3 Molecules in the Circumstellar Envelope of Carbon Stars
Gas phase formation of c-SiC3 molecules in the circumstellar envelope of carbon stars Tao Yanga,b,1,2, Luke Bertelsc,1, Beni B. Dangib,3, Xiaohu Lid,e, Martin Head-Gordonc,2, and Ralf I. Kaiserb,2 aState Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, P. R. China; bDepartment of Chemistry, University of Hawai‘iatManoa, Honolulu, HI 96822; cDepartment of Chemistry, University of California, Berkeley, CA 94720; dXinjiang Astronomical Observatory, Chinese Academy of Sciences, Urumqi, Xinjiang 830011, P. R. China; and eNational Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012, P. R. China Contributed by Martin Head-Gordon, May 17, 2019 (sent for review July 20, 2018; reviewed by Piergiorgio Casavecchia and David Clary) Complex organosilicon molecules are ubiquitous in the circumstel- Modern astrochemical models propose that the very first lar envelope of the asymptotic giant branch (AGB) star IRC+10216, silicon–carbon bonds are formed in the inner envelope of the but their formation mechanisms have remained largely elusive until carbon star, which is undergoing mass loss at the rates of several − now. These processes are of fundamental importance in initiating a 10 5 solar masses per year (22, 23). Pulsations from the central chain of chemical reactions leading eventually to the formation of star may initiate shocks, which (photo)fragment the circumstellar — organosilicon molecules among them key precursors to silicon car- materials (24, 25). These nonequilibrium conditions cause tem- — bide grains in the circumstellar shell contributing critically to the peratures of 3,500 K or above (19) and lead to highly reactive galactic carbon and silicon budgets with up to 80% of the ejected metastable fragments such as electronically excited silicon atoms, materials infused into the interstellar medium. -
Rotational Spectroscopy of the Isotopic Species of Silicon Monosulfide, Sisw
PAPER www.rsc.org/pccp | Physical Chemistry Chemical Physics Rotational spectroscopy of the isotopic species of silicon monosulfide, SiSw H. S. P. Mu¨ller,*ab M. C. McCarthy,cd L. Bizzocchi,e H. Gupta,cdf S. Esser,g H. Lichau,a M. Caris,a F. Lewen,a J. Hahn,g C. Degli Esposti,e S. Schlemmera and P. Thaddeuscd Received 2nd January 2007, Accepted 23rd January 2007 First published as an Advance Article on the web 20th February 2007 DOI: 10.1039/b618799d Pure rotational transitions of silicon monosulfide (28Si32S) and its rare isotopic species have been observed in their ground as well as vibrationally excited states by employing Fourier transform microwave (FTMW) spectroscopy of a supersonic molecular beam at centimetre wavelengths (13–37 GHz) and by using long-path absorption spectroscopy at millimetre and submillimetre wavelengths (127–925 GHz). The latter measurements include 91 transition frequencies for 28Si32S, 28Si33S, 28Si34S, 29Si32S and 30Si32Sinu = 0, as well as 5 lines for 28Si32Sinu = 1, with rotational quantum numbers J00 r 52. The centimetre-wave measurements include more than 300 newly recorded lines. Together with previous data they result in almost 600 transitions (J00 =0 and 1) from all twelve possible isotopic species, including 29Si36S and 30Si36S, which have fractional abundances of about 7 Â 10À6 and 4.5 Â 10À6, respectively. Rotational transitions were observed from u = 0 for the least abundant isotopic species to as high as u = 51 for the main species. Owing to the high spectral resolution of the FTMW spectrometer, hyperfine structure from the nuclear electric quadrupole moment of 33S was resolved for species containing this isotope, as was much smaller nuclear spin-rotation splitting for isotopic species involving 29Si. -
237385992.Pdf
View metadata, citation and similar papers at core.ac.uk brought to you by CORE provided by Radboud Repository PDF hosted at the Radboud Repository of the Radboud University Nijmegen The following full text is a publisher's version. For additional information about this publication click this link. http://hdl.handle.net/2066/208641 Please be advised that this information was generated on 2019-12-04 and may be subject to change. This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License, which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes. Article Cite This: J. Phys. Chem. A 2019, 123, 8053−8062 pubs.acs.org/JPCA Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations ‑ + + ‑ + fl l C3H ,HC3H , and c C3H2 : Structures, Isomers, and the In uence of Ne-Tagging † ‡ § ∥ ‡ † ‡ ⊥ † Sandra Brünken,*, , Filippo Lipparini, , Alexander Stoffels, , Pavol Jusko, , Britta Redlich, § ‡ Jürgen Gauss, and Stephan Schlemmer † FELIX Laboratory, Institute for Molecules and Materials, Radboud University, Toernooiveld 7c, NL-6525ED Nijmegen, The Netherlands ‡ I. Physikalisches Institut, UniversitatzuKö ̈ln, Zülpicher Str. 77, D-50937 Köln, Germany § Institut für Physikalische Chemie, Johannes Gutenberg-Universitaẗ Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany ∥ Dipartimento di Chimica e Chimica Industriale, Universitàdi Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy *S Supporting Information ABSTRACT: We report the first gas-phase vibrational + + spectra of the hydrocarbon ions C3H and C3H2 . The ions were produced by electron impact ionization of allene. Vibrational spectra of the mass-selected ions tagged with Ne were recorded using infrared predissociation spectroscopy in a cryogenic ion trap instrument using the intense and widely tunable radiation of a free electron laser. -
Standard Thermodynamic Properties of Chemical
STANDARD THERMODYNAMIC PROPERTIES OF CHEMICAL SUBSTANCES ∆ ° –1 ∆ ° –1 ° –1 –1 –1 –1 Molecular fH /kJ mol fG /kJ mol S /J mol K Cp/J mol K formula Name Crys. Liq. Gas Crys. Liq. Gas Crys. Liq. Gas Crys. Liq. Gas Ac Actinium 0.0 406.0 366.0 56.5 188.1 27.2 20.8 Ag Silver 0.0 284.9 246.0 42.6 173.0 25.4 20.8 AgBr Silver(I) bromide -100.4 -96.9 107.1 52.4 AgBrO3 Silver(I) bromate -10.5 71.3 151.9 AgCl Silver(I) chloride -127.0 -109.8 96.3 50.8 AgClO3 Silver(I) chlorate -30.3 64.5 142.0 AgClO4 Silver(I) perchlorate -31.1 AgF Silver(I) fluoride -204.6 AgF2 Silver(II) fluoride -360.0 AgI Silver(I) iodide -61.8 -66.2 115.5 56.8 AgIO3 Silver(I) iodate -171.1 -93.7 149.4 102.9 AgNO3 Silver(I) nitrate -124.4 -33.4 140.9 93.1 Ag2 Disilver 410.0 358.8 257.1 37.0 Ag2CrO4 Silver(I) chromate -731.7 -641.8 217.6 142.3 Ag2O Silver(I) oxide -31.1 -11.2 121.3 65.9 Ag2O2 Silver(II) oxide -24.3 27.6 117.0 88.0 Ag2O3 Silver(III) oxide 33.9 121.4 100.0 Ag2O4S Silver(I) sulfate -715.9 -618.4 200.4 131.4 Ag2S Silver(I) sulfide (argentite) -32.6 -40.7 144.0 76.5 Al Aluminum 0.0 330.0 289.4 28.3 164.6 24.4 21.4 AlB3H12 Aluminum borohydride -16.3 13.0 145.0 147.0 289.1 379.2 194.6 AlBr Aluminum monobromide -4.0 -42.0 239.5 35.6 AlBr3 Aluminum tribromide -527.2 -425.1 180.2 100.6 AlCl Aluminum monochloride -47.7 -74.1 228.1 35.0 AlCl2 Aluminum dichloride -331.0 AlCl3 Aluminum trichloride -704.2 -583.2 -628.8 109.3 91.1 AlF Aluminum monofluoride -258.2 -283.7 215.0 31.9 AlF3 Aluminum trifluoride -1510.4 -1204.6 -1431.1 -1188.2 66.5 277.1 75.1 62.6 AlF4Na Sodium tetrafluoroaluminate -
ARTICLE Designing Isoelectronic Counterparts to Layered Group V Semiconductors Zhen Zhu, Jie Guan, Dan Liu, and David Toma´Nek*
ARTICLE Designing Isoelectronic Counterparts to Layered Group V Semiconductors Zhen Zhu, Jie Guan, Dan Liu, and David Toma´nek* Physics and Astronomy Department, Michigan State University, East Lansing, Michigan 48824, United States ABSTRACT In analogy to IIIÀV compounds, which have significantly broadened the scope of group IV semiconductors, we propose a class of IVÀVI compounds as isoelectronic counterparts to layered group V semiconductors. Using ab initio density functional theory, we study yet unrealized structural phases of silicon monosulfide (SiS). We find the black-phosphorus-like R-SiS to be almost equally stable as the blue-phosphorus-like β-SiS. Both R-SiS and β- SiS monolayers display a significant, indirect band gap that depends sensitively on the in-layer strain. Unlike 2D semiconductors of group V elements with the corresponding nonplanar structure, different SiS allotropes show a strong polarization either within or normal to the layers. We find that SiS may form both lateral and vertical heterostructures with phosphorene at a very small energy penalty, offering an unprecedented tunability in structural and electronic properties of SiS-P compounds. KEYWORDS: silicon sulfide . isoelectronic . phosphorene . ab initio . electronic band structure wo-dimensional semiconductors of monosulfide (SiS). We use ab initio density Tgroup V elements, including phos- functional theory (DFT) to identify stable phorene and arsenene, have been allotropes and determine their equilibrium rapidly attracting interest due to their sig- geometry and electronic structure. We have nificant fundamental band gap, large den- identified two nearly equally stable allo- sity of states near the Fermi level, and high tropes, namely, the black-phosphorus-like and anisotropic carrier mobility.1À4 Combi- R-SiS and the blue-phosphorus-like β-SiS, nation of these properties places these and show their structure in Figure 1a and d. -
The Interstellar Chemistry of C3H and C3H2 Isomers
The interstellar chemistry of C3H and C3H2 isomers. Jean-Christophe Loison1*, Marcelino Agúndez2, Valentine Wakelam3, Evelyne Roueff4, Pierre Gratier3, Núria Marcelino5, Dianailys Nuñez Reyes1, José Cernicharo2, Maryvonne Gerin6. *Corresponding author: [email protected] 1 Institut des Sciences Moléculaires (ISM), CNRS, Univ. Bordeaux, 351 cours de la Libération, 33400, Talence, France 2 Instituto de Ciencia de Materiales de Madrid, CSIC, C\ Sor Juana Inés de la Cruz 3, 28049 Cantoblanco, Spain 3 Laboratoire d'astrophysique de Bordeaux, Univ. Bordeaux, CNRS, B18N, allée Geoffroy Saint-Hilaire, 33615 Pessac, France. 4 LERMA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne Universités, UPMC Univ. Paris 06, F-92190 Meudon, France 5 INAF, Osservatorio di Radioastronomia, via P. Gobetti 101, 40129 Bologna, Italy 6 LERMA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne Universités, UPMC Univ. Paris 06, Ecole Normale Supérieure, F-75005 Paris, France We report the detection of linear and cyclic isomers of C3H and C3H2 towards various starless cores and review the corresponding chemical pathways involving neutral (C3Hx with x=1,2) + and ionic (C3Hx with x = 1,2,3) isomers. We highlight the role of the branching ratio of + + electronic Dissociative Recombination (DR) reactions of C3H2 and C3H3 isomers showing * * that the statistical treatment of the relaxation of C3H and C3H2 produced in these DR reactions may explain the relative c,l-C3H and c,l-C3H2 abundances. We have also introduced in the model the third isomer of C3H2 (HCCCH). The observed cyclic-to-linear C3H2 ratio vary from 110 ± 30 for molecular clouds with a total density around 1×104 molecules.cm-3 to 30 ± 10 for molecular clouds with a total density around 4×105 molecules.cm-3, a trend well reproduced with our updated model. -
Inorganic Seminar Abstracts
C 1 « « « • .... * . i - : \ ! -M. • ~ . • ' •» »» IB .< L I B RA FLY OF THE. UN IVERSITY Of 1LLI NOIS 546 1^52-53 Return this book on or before the Latest Date stamped below. University of Illinois Library «r L161— H41 Digitized by the Internet Archive in 2012 with funding from University of Illinois Urbana-Champaign http://archive.org/details/inorganicsemi195253univ INORGANIC SEMINARS 1952 - 1953 TABLE OF CONTENTS 1952 - 1953 Page COMPOUNDS CONTAINING THE SILICON-SULFUR LINKAGE 1 Stanley Kirschner ANALYTICAL PROCEDURES USING ACETIC ACID AS A SOLVENT 5 Donald H . Wilkins THE SOLVENT PHOSPHORYL CHLORIDE, POCl 3 12 S.J. Gill METHODS FOR PREPARATION OF PURE SILICON 17 Alex Beresniewicz IMIDODISULFINAMIDE 21 G.R. Johnston FORCE CONSTANTS IN POLYATOMIC MOLECILES 28 Donn D. Darsow METATHESIS IN LIQUID ARSENIC TRICHLORIDE 32 Harold H. Matsuguma THE RHENI DE OXIDATION STATE 40 Robert L. Rebertus HALOGEN CATIONS 45 L.H. Diamond REACTIONS OF THE NITROSYL ION 50 M.K. Snyder THE OCCURRENCE OF MAXIMUM OXIDATION STATES AMONG THE FLUOROCOMPLEXES OF THE FIRST TRANSITION SERIES 56 D.H. Busch POLY- and METAPHOSPHATES 62 V.D. Aftandilian PRODUCTION OF SILICON CHLORIDES BY ELECTRICAL DISCHARGE AND HIGH TEMPERATURE TECHNIQUES 67 VI. £, Cooley FLUORINE CONTAINING OXYHALIDES OF SULFUR 72 E.H. Grahn PREPARATION AND PROPERTIES OF URANYL CARBONATES 76 Richard *• Rowe THE NATURE OF IODINE SOLUTIONS 80 Ervin c olton SOME REACTIONS OF OZONE 84 Barbara H. Weil ' HYDRAZINE BY ELECTROLYSIS IN LIQUID AMMONIA 89 Robert N. Hammer NAPHTHAZARIN COMPLEXES OF THORIUM AND RARE EARTH METAL IONS 93 Melvin Tecotzky THESIS REPORT 97 Perry Kippur ION-PAIR FORMATION IN ACETIC ACID 101 M.M. -
Potential Formation of Three Pyrimidine Bases in Interstellar Regions, Liton Majumdar, Prasanta Gorai, Ankan Das, Sandip
Potential formation of three pyrimidine bases in interstellar regions Liton Majumdar Univ. Bordeaux, LAB, UMR 5804, F-33270, Floirac, France CNRS, LAB, UMR 5804, F-33270, Floirac, France & Indian Centre for Space Physics, Chalantika 43, Garia Station Road, Kolkata- 700084, India Prasanta Gorai Indian Centre for Space Physics, Chalantika 43, Garia Station Road, Kolkata- 700084, India Ankan Das Indian Centre for Space Physics, Chalantika 43, Garia Station Road, Kolkata- 700084, India Sandip K. Chakrabarti S. N. Bose National Centre for Basic Sciences, Salt Lake, Kolkata- 700098, India & Indian Centre for Space Physics, Chalantika 43, Garia Station Road, Kolkata- 700084, India Received ; accepted arXiv:1511.04343v1 [physics.gen-ph] 9 Nov 2015 –2– ABSTRACT Work on the chemical evolution of pre-biotic molecules remains incomplete since the major obstacle is the lack of adequate knowledge of rate coefficients of various reactions which take place in interstellar conditions. In this work, we study the possibility of forming three pyrimidine bases, namely, cytosine, uracil and thymine in interstellar regions. Our study reveals that the synthesis of uracil from cytosine and water is quite impossible under interstellar circumstances. For the synthesis of thymine, reaction between uracil and : CH2 is investigated. Since no other relevant pathways for the formation of uracil and thymine were available in the literature, we consider a large gas-grain chemical network to study the chemical evolution of cytosine in gas and ice phases. Our modeling result shows that cytosine would be produced in cold, dense interstellar conditions. However, presence of cytosine is yet to be established. We propose that a new molecule, namely, C4N3OH5 could be observable in the interstellar region. -
United States Patent (19) 11 Patent Number: 5,843,391 Yamamoto Et Al
USOO584,3391A United States Patent (19) 11 Patent Number: 5,843,391 Yamamoto et al. (45) Date of Patent: Dec. 1, 1998 54 METHOD OF MANUFACTURING SILICON Mellor, “A Comprehensive Treatise on Inorganic and Theo SULFIDE retical Chemistry” vol., VI, QD31 M4, 1947 (no month), pp. 985-990. 75 Inventors: Kazutomi Yamamoto; Nobuhiko Ikeda, both of Hino, Japan European Search Report dated Jun. 23, 1997 for European 73 Assignee: Furukawa Co., Ltd., Tokyo, Japan Applin. No. EP97105989. Chemiker Zeitung, vol. 107, No. 10; 1983 Heidelberg DE, 21 Appl. No.: 839,677 pp. 289-290, R.G. Sobott et al. (no month). 22 Filed: Apr. 15, 1997 “Gmelins Handbuch De Anorganischer Chemie 8" Com 30 Foreign Application Priority Data pletely reworked edition Silicium Part B System-No. 15” 1959 Verlay Chemie, GmbH, p. 747, line 5-line 8. (no Apr. 16, 1996 JP Japan .................................... 8-094396 month). 51) Int. Cl. ............................ C01B33/00; CO1B 17/00 52 U.S. Cl. .......................... 423/344; 423/324; 423/565; 423/DIG. 12 Primary Examiner Ngoc-Yen Nguyen 58 Field of Search ..................................... 423/565,344, Attorney, Agent, or Firm Young & Basile, P.C. 423/324, DIG. 12 57 ABSTRACT 56) References Cited Silicon sulfide is manufactured from the fine powder of U.S. PATENT DOCUMENTS Silicon having a particle size in the range of 60 to 100u, covered thoroughly with Sulfur at lower temperature leSS 2,589,653 3/1952 Alvarez-Tostado et al. ........... 423/344 2,766,103 10/1956 Nielsen et al. .......................... 423/344 than 700 C. in vacuum. In order to produce the silicon 3,321,326 5/1967 Young ............. -
I Ion Chemistry in Atmospheric and Astrophysical Plasmas
_) _// I ION CHEMISTRY IN ATMOSPHERIC AND ASTROPHYSICAL PLASMAS A. Dalgarno Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138, USA and J. L. Fox Institute for Terrestrial and Planetary Atmospheres, State University of New York, Stony Brook, N Y 11794, USA CONTENTS 1.1 Introduction 2 1.2 Hydrogen and Helium Plasmas 3 1.2.1 Astrophysical Environments 3 1.2.1.1 Early Universe 3 1.2.1.2 Gaseous nebulae and stellar winds 8 1.2.1.3 Supernova 1987a 9 1.2.1.4 Quasar broad-line regions 10 1.2.1.5 Dissociative shocks 10 1.2.2 Planetary Environments 12 1.2.2.1 Outer planets 12 1.3 Plasmas with an Admixture of Heavy Elements 18 1.3.1 Astrophysical Environments 18 1.3.1.1 Diffuse and translucent interstellar clouds 18 1.3.1.2 Dense molecular clouds 26 1.3.2 Outer Planets 29 Unimolecular and Bimoleeular Reaction Dynamics Edited by C. Y. Ng, T. Baer and I. Powis ,l" 1994 John Wile), & Sons Ltd A. DALGARNOAND J.L. FOX 1.4 Heavy Element Plasmas 35 1.4.1 Supernova 1987a 35 1.4.2 Terrestrial Planets 39 1.4.2.1 Dayside ionospheres 39 1.4.2.2 Nightside ionospheres 51 1.4.3 Titan and Triton 57 1.4.4 The Earth 66 1.5 Summary 76 1.1 INTRODUCTION There are many differences and also remarkable similarities between the ion chemistry and physics of planetary ionospheres and the ion chemistry and physics of astronomical environments beyond the solar system. -
Complex Molecules in W51 North Region
Mon. Not. R. Astron. Soc. 000, 1–?? (2015) Printed 8 June 2021 (MN LATEX style file v2.2) Complex molecules in W51 North region Jialei Rong1⋆, Sheng-Li Qin1⋆, Luis A. Zapata2, Yuefang Wu3, Tie Liu4, Chengpeng Zhang3, Yaping Peng1, Li Zhang1 and Ying Liu5 1Department of Astronomy, Yunnan University, and Key Laboratory of Astroparticle Physics of Yunnan Province, Kunming, 650091, China 2Centro de Radiostronom´ıa y Astrof´ısica, Universidad Nacional Aut´onoma de M´exico, 58089 Morelia, Michoac´an, M´exico 3Department of Astronomy, Peking University, Beijing, 100871, China 4Korea Astronomy and Space Science Institute 776, Daedeokdaero, Yuseong-gu, Daejeon, Republic of Korea 305-348 5Department of Physics and Hebei Advanced film Laboratory, Hebei Normal University, Shijiazhuang 050024, China ABSTRACT We present Submillimeter Array (SMA) molecular line observations in two 2 GHz-wide bands centered at 217.5 and 227.5 GHz, toward the massive star forming region W51 North. We identified 84 molecular line transitions from 17 species and their isotopo- logues. The molecular gas distribution of these lines mainly peaks in the continuum position of W51 North, and has a small tail extending to the west, probably associ- ated with W51 d2. In addition to the commonly detected nitrogen and oxygen-bearing species, we detected a large amount of transitions of the Acetone (CH3COCH3) and Methyl Formate (CH3OCHO), which may suggest that these molecules are present in an early evolutionary stage of the massive stars. We also found that W51 North is an ethanol-rich source. There is no obvious difference in the molecular gas distributions between the oxygen-bearing and nitrogen-bearing molecules. -
Complex Organic Molecules in Solar-Type Star Forming Regions Ali Jaber Al-Edhari
Complex organic molecules in solar-type star forming regions Ali Jaber Al-Edhari To cite this version: Ali Jaber Al-Edhari. Complex organic molecules in solar-type star forming regions. Astrophysics [astro-ph]. Université Grenoble Alpes, 2016. English. NNT : 2016GREAY048. tel-01577839 HAL Id: tel-01577839 https://tel.archives-ouvertes.fr/tel-01577839 Submitted on 28 Aug 2017 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. THÈSE Pour obtenir le grade de DOCTEUR DE la Communauté UNIVERSITÉ GRENOBLE ALPES Spécialité : Astronomie & Astrophysique Arrêté ministériel : 7 Août 2006 Présentée par Ali AL-EDHARI Thèse dirigée par Cecilia Ceccarelli et codirigée par Claudine Kahane préparée au sein de l’Institut d’Astrophysique et de Planétologie de Grenoble et de l’Ecole Doctorale de Physique Complex Organic Molecules In So- lar Type Star Forming Regions Thèse soutenue publiquement le 19 Octobre 2016, devant le jury composé de : M. Eric Quirico Professeur, Université de Grenoble (France), Président Mme Paola Caselli Professeur, Max Planck Institute, MPE, Munich