Intermolecular interactions of heteronuclear aromatic compounds probed by spectroscopic methods

by Muftah O. Darwish

Publisher: typescript in [s.l.]

Written in English
Published: Pages: 114 Downloads: 468
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Edition Notes

Thesis (M.Sc.) - University of Warwick, 2001.

StatementMuftah O. Darwish.
The Physical Object
Paginationvi, 114, [10] p.
Number of Pages114
ID Numbers
Open LibraryOL20250412M

Overall, the aromatic ring current interaction between the imidazolium cations and the thiophene was responsible for the absorption of aromatic sulfur compounds in ILs. Revelli et al. studied the interaction of thiophene with [C 1 C 1 Im][(C 1 O)PHO 2 ] and [C 4 C 1 Im][SCN], using 1 H and 31 P NMR spectroscopy [ 15 ].   (Although ionic compounds are not composed of discrete molecules, we will still use the term intermolecular to include interactions between the ions in such compounds.) Substances that experience strong intermolecular interactions require higher temperatures to . Page ID 34; No headers. Welcome to the Chemistry Library. This Living Library is a principal hub of the LibreTexts project, which is a multi-institutional collaborative venture to develop the next generation of open-access texts to improve postsecondary education at all levels of higher LibreTexts approach is highly collaborative where an Open Access textbook environment is under.   Recent X-ray crystallographic and NMR evidence indicates that relatively weak intramolecular edge-to-face interactions between aromatic rings can affect or determine the conformation of organic molecules in the solid state and in solution. Experimental estimates indicate that these interactions are energetically attractive by ca. kcal mol-1 but disfavored in solution by .

Non-additive intermolecular forces from the spectroscopy of van der Waals trimers: A comparison of ar2-hf and ar2-hcl, including h/d isotope effects. A new efficient method to study intermolecular interaction energies. Journal of (). Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons. Physical Chemistry. Magnetic Resonance Spectroscopy Subject Areas on Research 13C NMR isotopomer analysis reveals a connection between pyruvate cycling and glucose-stimulated insulin secretion (GSIS).   For non-covalent interactions, on the other hand, SQM methods augmented with empirical corrections 2,7,23–31 yield results that can rival modern density functional theory (DFT) and ab initio methods (e.g., SCS-MP2 32) in accuracy. 2,4 For instance, for the S66 dataset, 33 which consists of 66 dimers and their gas-phase interaction energies. States of matter: Interactions between molecular units. As with most artificial classifications, these distinctions tend to break down in extreme cases: most artificial polymers ("plastics") are composed of molecules of various sizes and shapes, some metal alloys contain identifiable molecular units, and it is not too much of a stretch to regard a diamond or a crystal of NaCl as a gigantic.

Get this from a library! Chemistry³: introducing inorganic, organic and physical chemistry. [Andrew Burrows] -- "Chemistry is widely considered to be the central science: it encompasses concepts from which other branches of science are developed. Yet, for many students entering university, gaining a . The Study of Chemistry; The Scientific Method; Three States of Matter; Substances and Mixtures; Heteronuclear Diatomic Molecules; Polyatomic Molecules; Properties of Aromatic Compounds; Reactions of Aromatic Compounds; Functional Groups; Alcohols; Ethers; Carboxylic Acids; Esters;.

Intermolecular interactions of heteronuclear aromatic compounds probed by spectroscopic methods by Muftah O. Darwish Download PDF EPUB FB2

Introduction. Investigations of the self- and hetero-association of aromatic biologically active compounds (BAC), carried out by the methods of nuclear magnetic resonance spectroscopy (NMR), UV–Vis absorption spectroscopy and fluorescence (see for review), have shown that under the solution conditions close to physiological, the BAC Intermolecular interactions of heteronuclear aromatic compounds probed by spectroscopic methods book are able to form non-covalent sandwich Cited by: 6.

Understanding in what kind of interactions proteins can be involved (protein-protein, protein-ligands, or protein-nucleic acids, to cite a few examples) is important for studying structural biology, medicinal chemistry and drug discovery. NMR methods, when used in conjunction with isotope labeling, allow the acquisition of a large amount of information about the constituents of Author: Juliana Fattori, Fábio H.S.

Rodrigues, João G.M. Pontes, Ana Paula Espíndola, Ljubica Tasic. The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures.

This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for book is divided into three parts.

The changes they made included introduction of an axial methyl group, which disrupted aromatic stacking interactions in the crystalline state, and replacement of a methyl sulfone by a 3-cyanopyridyl group, which removed a CH⋯O S interaction. In a second example, stacking and CH⋯π interactions were disturbed to obtain an approximately.

The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and.

Aromatic hydrocarbons (PAHs and oligomers) that are models of carbonaceous materials components were studied using MM+All Atom Force Field and the semi-empirical methods (MINDO3 and ZINDO1) of quantum chemistry. The following intermolecular interactions were studied through potential energy function: (i) Among PAH molecules; (ii) among.

Muftah O. Darwish has written: 'Intermolecular interactions of heteronuclear aromatic compounds probed by spectroscopic methods'. The crystalline sponge [{(ZnI2)3(tris(4-pyridyl)-1,3,5-triazine)2x(solvent)}n] has been used to produce a range of novel encapsulation compounds with acetophene, trans-cinnamaldehyde, naphthalene, anthracene, and benzylcyanide.

Using additional data from previously reported encapsulation compounds, three systematic series have been created and analyzed to investigate the behavior of. Intermolecular interactions of organic, inorganic, and organometallic compounds are the key to many composition–structure and structure–property networks.

In this review, some of these relations and the tools developed by the Cambridge Crystallographic Data Center (CCDC) to analyze them and design solid forms with desired properties are described. Musiani, A. Giorgetti, in International Review of Cell and Molecular Biology, Electrostatic Analysis.

Intermolecular interactions are essential for nearly every cellular activity. The forces that underlie these interactions include van der Waals dispersion. Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons.

The fundamentals of an unconventional approach to the theory of H-bonding and. Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different.

Request PDF | Analysis of CFFC Interactions on Cyclohexane and Naphthalene Frameworks | Intramolecular CF FC interactions in selected organofluorine compounds (all-syn-1,2,3,4- and all-syn. Reactivity of Solid Benzene Probed by Infrared Spectroscopy.

spectra of aromatic compounds to determine the effect of substituent groups or some of the vibrations of the aromatic nucleus.

The ion-ion interaction is the simplest of electrostatic interactions and other higher order interactions exists as discussed below. Dipoles According to Coulomb's law (Equation \(\ref{}\)), the electrostatic force between an ion and an uncharged particle having Q = 0 should be zero.

A series of aromatic amides incorporated with N-heterocycles or triptycene units are synthesized and studied for probing the effects of such chemical modifications on the intermolecular interactions. Single crystals of a number of heterocyclic amides and the triptycene-containing amide were obtained.

Crystal. Intermolecular interactions can be probed by varying pressure. The structures formed under selected temperature and pressure conditions, and the structural changes resulting from temperature and pressure variation, can provide clues to understanding the structure-forming role of various types of hydrogen bonds, stacking interactions, van der Waals interactions, etc.

Interactions between dissolved peat humic acid and two structurally dissimilar organofluorine compounds, perfluoronaphthol and perfluoro-octanoic acid, are probed using a novel (1)H{(19)F. The formation of complex was also confirmed by UV–Visible spectroscopic method at K in these systems.

five aromatic compounds. Computed interaction energy values in the present. Classifying Intermolecular Forces. In general, intermolecular forces can be divided into several categories. The four prominent types are: Ion-Ion Interactions: Recall lattice energy and its relation to properties of more ionic, the higher the lattice energy.

A phase A form of matter that has the same physical properties throughout. is a certain form of matter that includes a specific set of physical properties.

That is, the atoms, the molecules, or the ions that make up the phase do so in a consistent manner throughout the phase. As mentioned in Chapter 1 "Chemistry, Matter, and Measurement", science recognizes three stable phases: the solid phase.

Chemistry Catherine E. Housecroft and Edwin C. Constable Contents 1 Some basic concepts 2Atoms and atomic structure 3 Homonuclear covalent bonds 4 Heteronuclear diatomic molecules 5 Polyatomic molecules: shapes 6 Polyatomic molecules: bonding 7 Ions 8 Elements 9 Mass spectrometry 10 Introduction to spectroscopy 11 Vibrational and rotational.

The internal standard method is widely applied in quantitative analyses. However, most analytical chemistry textbooks either omit this topic or only provide examples of a single-point internal.

Get this from a library. Specific intermolecular interactions of organic compounds. [A K Baev] -- Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic.

Chem. Soc. All Publications/Website. OR SEARCH CITATIONS. The properties of liquids are intermediate between those of gases and solids, but are more similar to solids. In contrast to intramolecular forces, such as the covalent bonds that hold atoms together in molecules and polyatomic ions, intermolecular forces hold molecules together in a liquid or olecular forces are generally much weaker than covalent bonds.

ADVERTISEMENTS: Some of the important types of Spectroscopic Techniques are as follows: Type # 1. Gamma Spectroscopy: Gamma spectroscopy is a radionuclide measurement method. While a Geiger counter determines only the count rate, a gamma spectrometer will determine the energy and the count rate of gamma-rays emitted by radioactive substances.

Gamma spectroscopy is an extremely [ ]. Heteronuclear Intermolecular Resonance-Assisted Hydrogen Bonds. The Structure of PyrroleCarboxamide (PyCa). The Journal of Physical Chemistry B(12), DOI: /jpv.

Ivan García-Orozco, Ma. Heterocyclic compound - Heterocyclic compound - The nature of heteroaromaticity: Aromaticity denotes the significant stabilization of a ring compound by a system of alternating single and double bonds—called a cyclic conjugated system—in which six π electrons generally participate.

A nitrogen atom in a ring can carry a positive or a negative charge, or it can be in the neutral form. Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and.

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Here, we describe the roles of intramolecular and intermolecular interactions in defining the length of the lag time and the apparent rate of elongation of the residue protein human β 2-microglobulin at pHcommencing from an acid-denatured state that lacks persistent structure but contains significant non-random hydrophobic.Aromatic–aromatic interactions can be rationalized on the basis of electrostatic and van der Waals interactions, whereas charge transfer or polarization phenomena are small for all intermolecular complexes and, particularly, for stacked structures.