Pierangelo Metrangolo Giuseppe Resnati Editors Impact on Materials
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U UNIVERSITY OF CINCINNATI Date: 08/19/2009 I, Seher Kuyuldar (Tastan) , hereby submit this original work as part of the requirements for the degree of: Doctor of Philosophy (Ph. D) in Chemistry It is entitled: Synthesis, Characterization and Redox Studies of Platinum and Palladium Complexes with mer-Coordinating Ligands Seher Kuyuldar Student Signature: This work and its defense approved by: Dr. William B. Connick Committee Chair: Dr. Michael Baldwin Dr. Carl Seliskar Approval of the electronic document: I have reviewed the Thesis/Dissertation in its final electronic format and certify that it is an accurate copy of the document reviewed and approved by the committee. Committee Chair signature: Dr. William B. Connick Synthesis, Characterization and Redox Studies of Platinum and Palladium Complexes with mer-Coordinating Ligands A dissertation submitted to the Division of Research and Advanced Studies of the University of Cincinnati in partial fulfillment of the requirements for the degree of DOCTORATE OF PHILOSOPHY (Ph.D.) In the Department of Chemistry of the College of Arts and Sciences 2009 by Seher Kuyuldar (Tastan) B.S., Fatih University, 2002 Committee Chair: Dr. William B. Connick I Abstract Synthetic, structural, spectroscopic, and redox studies of platinum(II) and palladium(II) compounds with mer-coordinating ligands have been undertaken in an effort to better understand the role of the metal and the ligands in controlling d6/d8 electron-transfer reactions. A series of Pd(pip2NCN)X (pip2NCNH=1,3- bis(piperdylmethyl)benzene) and [Pd(pip2NNN)X]X (X=Cl, Br, I) (pip2NNN=2,6- bis(piperdyl-methyl)pyridine) complexes are reported. -
Type II Halogen...Halogen Contacts Are Halogen Bonds
scientific commentaries Type II halogenÁÁÁhalogen contacts are halogen IUCrJ bonds ISSN 2052-2525 CHEMISTRYjCRYSTENG Pierangelo Metrangolo* and Giuseppe Resnati Laboratory of Nanostructured Fluorinated Materials of the Department of Chemistry, Materials and Chemical Engineering "Giulio Natta", Politecnico di Milano, Via L. Mancinelli 7, Milano, 20131, Italy Halogenated phenols (HPs) are naturally present in the marine environment (Gribble, 2010). They are also important man-made compounds owing to their chemical inertness and applications in many industrial processes. For instance, chlorinated phenols, e.g. 2,4,6-trichlorophenol and its isomers, have been routinely used as pesticides, bactericides Keywords: halogen bonds; halogenated phenols and fungicides, and a number of tribromophenols are commercially produced as flame retardants and wood preservatives. The carbon–halogen bond can be quite stable in the environment and HPs are recalcitrant molecules, widespread organic pollutants found in air, water, soil and sedi- ments (Shao et al., 2011). The HPs mentioned above have, in fact, been detected and quantified in blood from birds, fish and mammals, including humans. The retention of HPs by living organisms is related to their structural resemblance to the thyroid hormones 3,30,5,50-tetraiodo-l-thyroxin (thyroxine, T4) and 3,30,5-triiodo-l-thyronine (T3). In fact, para-andmeta-halophenols bind to some proteins such as transthyretin (TTR), thyroxin-binding globulin (TGB) and albumin (ALB), and the receptor affinity of o,o’-dihalophenols is remarkably high (Kitamura et al., 2008). To understand the recognition features of HPs at molecular level is thus of paramount importance as it may help to rationalize the adverse biological effects of HPs to which humans are commonly exposed. -
And [Z–Hali]- Halogen Bonds: Electron Density Properties And
molecules Article Strength of the [Z–I···Hal]− and [Z–Hal···I]− Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy Maxim L. Kuznetsov 1,2 1 Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Avenida Rovisco Pais, 1049-001 Lisbon, Portugal; [email protected]; Tel.: +351-218-419-236 2 Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7/9, 199034 Saint Petersburg, Russia Abstract: Bond energy is the main characteristic of chemical bonds in general and of non-covalent interactions in particular. Simple methods of express estimates of the interaction energy, Eint, us- ing relationships between Eint and a property which is easily accessible from experiment is of great importance for the characterization of non-covalent interactions. In this work, practically important relationships between Eint and electron density, its Laplacian, curvature, potential, kinetic, and total energy densities at the bond critical point as well as bond length were derived for the structures of the [Z–I···Hal]− and [Z–Hal···I]− types bearing halogen bonds and involving iodine as interact- ing atom(s) (totally 412 structures). The mean absolute deviations for the correlations found were 2.06–4.76 kcal/mol. Keywords: bond critical point properties; interaction energy; bond energy; bond strength; den- sity functional theory; electron density; energy density; halogen bond; QTAIM Citation: Kuznetsov, M.L. Strength of the [Z–I···Hal]− and [Z–Hal···I]− Halogen Bonds: Electron Density Properties and Halogen Bond Length as Estimators of Interaction Energy. 1. Introduction Molecules 2021, 26, 2083. https:// The halogen bond is one of the most important types of non-covalent interactions doi.org/10.3390/molecules26072083 being second only to hydrogen bonds in its significance. -
The Induction of Proteolysis in Purulent Sputum by Iodides * JACK LIEBERMAN and NATHANIEL B
Journal of Clinical Investigalton Vol. 43, No. 10, 1964 The Induction of Proteolysis in Purulent Sputum by Iodides * JACK LIEBERMAN AND NATHANIEL B. KURNICK (From the Veterans Administration Hospital, Long Beach, and the Department of Medicine, the University of California Center for Medical Sciences at Los Angeles, Calif.) Iodide, in the form of potassium or sodium io- have even greater proteolysis-inducing activities dide, is widely used as an expectorant for patients than inorganic iodide. with viscid sputum. The iodides are thought to act by increasing the volume of aqueous secretions Methods from bronchial glands (1). This mechanism for Source of sputum specimens. Purulent sputa were ob- the effect of iodides probably plays an important tained from 17 patients with cystic fibrosis and from 22 role, but an additional mechanism whereby iodides with other types of pulmonary problems (Table VIII). may act to thin viscid respiratory secretions was Two specimens of pus were obtained and studied in a demonstrated during a study of the proteolytic similar fashion. The sputa were collected in glass jars kept in the patients' home freezers at approximately enzyme systems of purulent sputum. - 100 C over a 2- to 5-day period and then were kept Purulent sputum contains a number of proteo- frozen at - 200 C up to 3 weeks. Sputa collected from lytic enzymes, probably derived from leukocytes hospitalized patients were frozen after a 4-hour collection (2-4). These proteases, however, are ineffective period. in causing hydrolysis of the native protein in puru- Preparation of sputum homogenates. Individual spu- tum specimens were homogenized in distilled water with lent sputum and do not appear to contribute sig- a Potter-Elvehjem homogenizer to form 10% (wet nificantly to the spontaneous liquefaction of these weight to volume) homogenates. -
A Textbook Chapter on Solubility Characteristics and the Precipitation of Asphaltenes
The Chemistry of Alberta Oil Sands, Bitumens and Heavy Oils Otto P. Strausz Elizabeth M. Lown Department of Chemistry Department of Chemistry University of Alberta University of Alberta The Alberta Energy Research Institute and Her Majes.ty the Queen in right of Alberta make no warranty, express or implied-, nor assume any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, contained in this publication, nor that use thereof will not infringe on -privately owned ights. The views and opinions of the author expressed herein, do not necessarily reflect 'those of'the Alberta Energy Research Institute or'Her Majesty the Queen in. right of Alberta, The Government of Alberta, its officers, employees, agents, and consultants are exempted, excluded and absolved from all liability for damage or 'injury, howsoever caused, to any person in connection with or arising out of'the use by that person for any purpose -ofthis publication or its contents. Copyright © Dr. Otto Strausz 2003 ISBN 0778530965 Published by: Alberta Energy 'Research 'Institute ~"~'*~'"~ Suite 2540, Monenco Place 801 6th Avenue S.W Calgary Alberta, Canada T2P 3W2 www.aeri.ab.ca Contents Introduction . ............ ....................... ................................... 1 Bibliography.................... .................................... ............. 7 1. The Origin of Petroleum! ............................. ......... 9 1.0 Gen'esis of Petroleum ................................................. 12 2.0 Migration and Accumulation -
Intermolecular Forces and Solutions Chapter 7 Forces • Intra-Molecular Forces: Forces Within the Molecule
Intermolecular forces and Solutions Chapter 7 Forces • Intra-molecular forces: Forces within the molecule. Generally stronger. Examples: Ionic, polar covalent and non-polar covalent bonds. • Inter-molecular forces: Generally weaker. Examples: dipole-dipole and hydrogen bonding. • Where do we see the effects of intermolecular forces? • They are the attraction that holds water into its liquid and solid shape. • They are the forces that give water it's surface tension. • They are the forces that break when going from a solid to a liquid or a liquid to a gas. The type of molecule/ion determines the type of intermolecular force. Types of intermolecular forces • Ion-dipole (between ions and polar molecules) • dipole-dipole (between 2 polar molecules) • dipole-induced dipole (between a polar molecule and a non-polar molecules) • induced dipole - induced dipole (between 2 non- polar molecules) Water uses ion-dipole forces to dissolve salts HCl uses Dipole-Dipole Forces Hydrogen Bonding • A particularly strong example of dipole-dipole. • Occurs when there is an OH, NH or FH bond. H is very small and O N and F are very electronegative. Conditions for Hydrogen Bonding • Two important conditions must be met for hydrogen bonding to occur: o One molecule has a hydrogen atom attached by a covalent bond to an atom of N, O, or F. o The other molecule has an N, O, or F atom. Dipole-induced dipole induced dipole - induced dipole (also called London Forces) Larger molecules have more attractions What will be the intermolecular force in a pure substance? Factors that change boiling points • Type of Intermolecular Forces – The stronger the force, the higher the b.p. -
Synthesis and Characterizations of Novel Magnetic and Plasmonic Nanoparticles
SYNTHESIS AND CHARACTERIZATIONS OF NOVEL MAGNETIC AND PLASMONIC NANOPARTICLES by NAWEEN DAHAL B.S., TRIBHUVAN UNIVERSITY, 1995 M.S., TRIBHUVAN UNIVERSITY, 1997 AN ABSTRACT OF A DISSERTATION Submitted in partial fulfillment of the requirements for the degree DOCTOR OF PHILOSOPHY DEPARTMENT OF CHEMISTRY COLLEGE OF ARTS AND SCIENCES KANSAS STATE UNIVERSITY Manhattan, Kansas 2010 Abstract This dissertation reports the colloidal synthesis of iron silicide, hafnium oxide core-gold shell and water soluble iron-gold alloy for the first time. As the first part of the experimentation, plasmonic and superparamagnetic nanoparticles of gold and iron are synthesized in the form of core-shell and alloy. The purpose of making these nanoparticles is that the core-shell and alloy nanoparticles exhibit enhanced properties and new functionality due to close proximity of two functionally different components. The synthesis of core-shell and alloy nanoparticles is of special interest for possible application towards magnetic hyperthermia, catalysis and drug delivery. The iron-gold core-shell nanoparticles prepared in the reverse micelles reflux in high boiling point solvent (diphenyl ether) in presence of oleic acid and oleyl amine results in the formation of monodisperse core-shell nanoparticles. The second part of the experimentation includes the preparation of water soluble iron- gold alloy nanoparticles. The alloy nanoparticles are prepared for the first time at relatively low temperature (110 oC). The use of hydrophilic ligand 3-mercapto-1-propane sulphonic acid ensures the aqueous solubility of the alloy nanoparticles. Next, hafnium oxide core-gold shell nanoparticles are prepared for the first time using high temperature reduction method. These nanoparticles are potentially important as a high κ material in semiconductor industry. -
The Chemistry of Marine Sponges∗ 4 Sherif S
The Chemistry of Marine Sponges∗ 4 Sherif S. Ebada and Peter Proksch Contents 4.1 Introduction ................................................................................ 192 4.2 Alkaloids .................................................................................. 193 4.2.1 Manzamine Alkaloids ............................................................. 193 4.2.2 Bromopyrrole Alkaloids .......................................................... 196 4.2.3 Bromotyrosine Derivatives ....................................................... 208 4.3 Peptides .................................................................................... 217 4.4 Terpenes ................................................................................... 240 4.4.1 Sesterterpenes (C25)............................................................... 241 4.4.2 Triterpenes (C30).................................................................. 250 4.5 Concluding Remarks ...................................................................... 268 4.6 Study Questions ........................................................................... 269 References ....................................................................................... 270 Abstract Marine sponges continue to attract wide attention from marine natural product chemists and pharmacologists alike due to their remarkable diversity of bioac- tive compounds. Since the early days of marine natural products research in ∗The section on sponge-derived “terpenes” is from a review article published -
A New Way for Probing Bond Strength J
A New Way for Probing Bond Strength J. Klein, H. Khartabil, J.C. Boisson, J. Contreras-Garcia, Jean-Philip Piquemal, E. Henon To cite this version: J. Klein, H. Khartabil, J.C. Boisson, J. Contreras-Garcia, Jean-Philip Piquemal, et al.. A New Way for Probing Bond Strength. Journal of Physical Chemistry A, American Chemical Society, 2020, 124 (9), pp.1850-1860. 10.1021/acs.jpca.9b09845. hal-02377737 HAL Id: hal-02377737 https://hal.archives-ouvertes.fr/hal-02377737 Submitted on 27 Mar 2021 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. A New Way for Probing Bond Strength Johanna Klein,y Hassan Khartabil,y Jean-Charles Boisson,z Julia Contreras-Garc´ıa,{ Jean-Philip Piquemal,{ and Eric H´enon∗,y yInstitut de Chimie Mol´eculaire de Reims UMR CNRS 7312, Universit´ede Reims Champagne-Ardenne, Moulin de la Housse 51687 Reims Cedex 02 BP39 (France) zCReSTIC EA 3804, Universit´ede Reims Champagne-Ardenne, Moulin de la Housse 51687 Reims Cedex 02 BP39 (France) {Sorbonne Universit´es,UPMC, Laboratoire de Chimie Th´eoriqueand UMR CNRS 7616, 4 Pl Jussieu, 75252 Paris Cedex 05(France) E-mail: [email protected] Phone: +33(3)26918497 1 Abstract The covalent chemical bond is intimately linked to electron sharing between atoms. -
Starter for Ten 3
Learn Chemistry Starter for Ten 3. Bonding Developed by Dr Kristy Turner, RSC School Teacher Fellow 2011-2012 at the University of Manchester, and Dr Catherine Smith, RSC School Teacher Fellow 2011-2012 at the University of Leicester This resource was produced as part of the National HE STEM Programme www.rsc.org/learn-chemistry Registered Charity Number 207890 3. BONDING 3.1. The nature of chemical bonds 3.1.1. Covalent dot and cross 3.1.2. Ionic dot and cross 3.1.3. Which type of chemical bond 3.1.4. Bonding summary 3.2. Covalent bonding 3.2.1. Co-ordinate bonding 3.2.2. Electronegativity and polarity 3.2.3. Intermolecular forces 3.2.4. Shapes of molecules 3.3. Properties and bonding Bonding answers 3.1.1. Covalent dot and cross Draw dot and cross diagrams to illustrate the bonding in the following covalent compounds. If you wish you need only draw the outer shell electrons; (2 marks for each correct diagram) 1. Water, H2O 2. Carbon dioxide, CO2 3. Ethyne, C2H2 4. Phosphoryl chloride, POCl3 5. Sulfuric acid, H2SO4 Bonding 3.1.1. 3.1.2. Ionic dot and cross Draw dot and cross diagrams to illustrate the bonding in the following ionic compounds. (2 marks for each correct diagram) 1. Lithium fluoride, LiF 2. Magnesium chloride, MgCl2 3. Magnesium oxide, MgO 4. Lithium hydroxide, LiOH 5. Sodium cyanide, NaCN Bonding 3.1.2. 3.1.3. Which type of chemical bond There are three types of strong chemical bonds; ionic, covalent and metallic. -
Halogen Bonding Based Recognition Processes: a World Parallel To
Acc. Chem. Res. 2005, 38, 386-395 to acquaint the nonexperts. This overview will show how Halogen Bonding Based XB is a strong, specific, and directional interaction that Recognition Processes: A World gives rise to well-defined supramolecular synthons. Then ² we will focus on interactions involving halocarbons and Parallel to Hydrogen Bonding on the supramolecular architectures that they produce. Some heuristic principles will spring from this, enabling ,³ PIERANGELO METRANGOLO,* us to develop an XB based crystal engineering, which may ³ § HANNES NEUKIRCH, TULLIO PILATI, AND complement the possibilities offered by HB. Applications ,³ GIUSEPPE RESNATI* and prospects will conclude the paper. Department of Chemistry, Materials, and Chemical The first unequivocal report on the ability of halogen Engineering ªGiulio Nattaº, 7 via Mancinelli, I-20131 Milan, and Campus of Como, 7 via Castelnuovo, I-22100 Como, atoms to form well-defined adducts with electron donor Polytechnic of Milan, Italy, and C.N.R.-Institute of Molecular species dates back to 1863 when Guthrie described the 3 Sciences, 9 via Golgi, I-20133 Milan, Italy formation of the NH3‚‚‚I2 complex. In 1896, Remsen and Received October 28, 2004 Norris proved the general tendency of amines to form adducts with bromine and chlorine.4 Sixty years later, the crystallographic studies of Hassel were a landmark in the ABSTRACT Halogen bonding is the noncovalent interaction between halogen understanding of the XB characteristics. In his Nobel atoms (Lewis acids) and neutral or anionic Lewis bases. The main lecture, Hassel stressed the similarities between interac- features of the interaction are given, and the close similarity with tions where halogen and hydrogen atoms work as electron the hydrogen bonding will become apparent. -
A Sheffield Hallam University Thesis
Vibrational spectroscopy studies of interdiffusion in polymer laminates and diffusion of water into polymer membranes. HAJATDOOST, Sohail. Available from the Sheffield Hallam University Research Archive (SHURA) at: http://shura.shu.ac.uk/19741/ A Sheffield Hallam University thesis This thesis is protected by copyright which belongs to the author. The content must not be changed in any way or sold commercially in any format or medium without the formal permission of the author. When referring to this work, full bibliographic details including the author, title, awarding institution and date of the thesis must be given. Please visit http://shura.shu.ac.uk/19741/ and http://shura.shu.ac.uk/information.html for further details about copyright and re-use permissions. Sheffield Hallam University REFERENCE ONLY ProQuest Number: 10697043 All rights reserved INFORMATION TO ALL USERS The quality of this reproduction is dependent upon the quality of the copy submitted. In the unlikely event that the author did not send a com plete manuscript and there are missing pages, these will be noted. Also, if material had to be removed, a note will indicate the deletion. uest ProQuest 10697043 Published by ProQuest LLC(2017). Copyright of the Dissertation is held by the Author. All rights reserved. This work is protected against unauthorized copying under Title 17, United States C ode Microform Edition © ProQuest LLC. ProQuest LLC. 789 East Eisenhower Parkway P.O. Box 1346 Ann Arbor, Ml 48106- 1346 Vibrational Spectroscopy Studies of Interdiffusion in Polymer Laminates and Diffusion of Water into Polymer Membranes by Sohail Hajatdoost A thesis submitted in part fulfilment of the requirements of Sheffield Hallam University for the degree of Doctor of Philosophy October 1996 ABSTRACT Confocal Raman microspectroscopy has been used to study the interdiffusion in polymer laminates at the interfacial region between the constituent polymer layers.