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Thursday, August 6, 2020 | History

2 edition of investigation of hydrogen bonds in crystals. found in the catalog.

investigation of hydrogen bonds in crystals.

Donald Harold Wauchope Dickson

investigation of hydrogen bonds in crystals.

by Donald Harold Wauchope Dickson

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  • 35 Currently reading

Published .
Written in English


Edition Notes

Thesis (Ph. D.)--The Queens" University of Belfast, 1949.

The Physical Object
Pagination1 v
ID Numbers
Open LibraryOL21531135M

In the crystals of (I) and (II), the mol­ecules are linked into [] chains by C—H O hydrogen bonds, whereas the extended structure of (III) features () layers linked by O—H O and C—H O hydrogen bonds. Compounds (I) and (II) were refined as inversion twins. A single crystal X-ray investigation of the yellow 2-[N-(2-hydroxyethyl) carboxamide]methylquinoxaline 1,4-dioxide, a commercially available growth promoter used in agricultural stock farming, shows that the molecule is planar. The dihedral angle between the benzene and heterocyclic rings is °. The N(1)-O(1) and N(2)-O(2) distances are: (1) and (1) Å. The C(1)-C(2) bond .

Gautam Radhakrishna Desiraju is an Indian chemist and educationist who has contributed substantially to the themes of crystal engineering and weak hydrogen has authored books on these subjects. He has co-authored a textbook in crystal engineering (). He is one of the most highly cited Indian scientists and has been recognised by awards such as the Alexander von Humboldt.   The intersheet hydrogen bonds were excluded from the scheme of hydrogen-bonding structure because the lengths of the diagonal cannot match up with the hydrogen-bonding length. Therefore, hydrogen bonds constituted in the intersheet in the crystal structures of nylons 5 6, 6 5, 9 2, and 6 9 were not adopted in the case of nylon 11 11 [].

Volltext Description of rights in Directory of Open Access Books (DOAB where a hydrogen bond may be treated as the preliminary the role of the analysis of crystal structures for investigations concerning hydrogen-bonded systems is valuable, the Editorial Board of Crystals, thus, decided to devote a Special Issue of the journal to. The reaction cavities of the nitro groups in the crystals of the title compounds, trans-[Co(NO 2)(NCS)(C 2 H 8 N 2) 2] X, X = SCN − (I), Cl − H 2 O (II), and (ClO 4 −) (SCN −) (III), have been investigated, revealing that the geometry of the inter­molecular N—H O hydrogen bonds in (I) is unsuitable for nitro–nitrito photo-isomerization. The common main building block.


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Investigation of hydrogen bonds in crystals by Donald Harold Wauchope Dickson Download PDF EPUB FB2

The hydrogen bond interaction plays a crucial role in crystal engineering and, in general, its important role in numerous chemical, physical and bio-chemical processes was the subject of various studies. That is why numerous important findings on the nature of hydrogen bonds concern crystal structures.

The aim of this study was to perform calculations using the method of Car–Parrinello molecular dynamics, leading to the optimized geometry of the molecules of 1,4-benzenedicarboxylic acid (terephthalic acid) in crystals, for the hydrogen form and three variants of substitution of deuterium atoms inside a Cited by: 6.

Abstract. The results of investigations of the isotope effect on the hydrogen bond length in crystals are reported and are interpreted on the basis of two terms contributing to the overall change in the bond length; a contraction term arising from the increased dipole moment and an expansion term which varies with the energy of the hydrogen bond.

The hydrogen bond interaction plays a crucial role in crystal engineering and, in general, its important role in numerous chemical, physical and bio-chemical processes was the subject of various Author: Slawomir Grabowski. used in hydrogen bonding in the crystal structure of that compound, (2) all good proton acceptors will be used in hydrogen bonding when there are available hydrogen-bond donors, and (3) the best.

Purchase Hydrogen Bonding - 1st Edition. Print Book & E-Book. ISBNThe determination of crystal structures provides important information on the geometry of species constituting crystals and on the symmetry relations between them.

Additionally, the analysis of crystal structures is so conclusive that it allows us to understand the nature of various interactions. The hydrogen bond interaction plays a crucial role in crystal engineering and, in general, its. Complexes 4–8 generate 3D supramolecular structures by utilizing a large number of hydrogen bonds.

In crystal 1, the π–π stacking interactions play an important part in the 3D network. The thermal stability of crystals 1–8 has been investigated by thermogravimetric analysis (TGA) of mass loss.

hydrogen bonds of the above-mentioned crystals are analysed in the light of a simple diabatic two-state theoretical model for hydrogen bonds. It is proposed that the presence of a partially covalent N–HN–O bond in ADP has a very significant effect on its O–H bond making it highly anharmonic.

It is this higher bond anharmonicity in ADP. Dihydrogen bonds involving carbon and metals of gr M–HH–C (M = Al, Ga, In), were analyzed theoretically. A structural survey of the Cambridge Structural Database revealed the surprising abundance of these interactions in the solid state, where they are often accompanied by weaker C–HH–C homopolar contacts.

Furthermore, cooperative effects were observed to reinforce. On the hydrogen bond nature of the C–H⋯F interactions in molecular crystals. An exhaustive investigation combining a crystallographic database search and ab initio theoretical calculations † Emiliana D'Oria a and Juan J.

Novoa * a. Purpose. To gain insight into the molecular structure of amorphous compounds by investigating hydrogen bonding patterns and strength in a series of structurally related compounds. Seven 1,4-dihydro- pyridine calcium channel blockers were evaluated. Methods. FT-Raman and FT-infrared spectra of the compounds in the crystalline and amorphous states were obtained.

The Nature of the Chemical Bond provides a general treatment, essentially nonmathematical, of present (as of ) knowledge about the structure of molecules and crystals and the nature of the chemical bond. Among the new features in the third edition are a detailed resonating-valence-bond theory of electron-deficient substances, such as the boranes and ferrocene; a chemical theory of the 4/5(6).

OVER the past ten years, numerous examples of ‘short’ intermolecular distances between a carbon atom with at least one hydrogen atom attached to it and an oxygen atom have appeared in papers.

Crystallographic date files in CIF format, detailed synthetic procedures for acids and adducts with spectroscopic characterization, the description of obtainment of single crystals for all structures, crystal and structure refinement data, selected distances [Å] and angles [deg] and the geometry of potential hydrogen bonds for all the structures, decomposed 2D fingerprint plots of OH, C.

The relationship between OH stretching frequency and hydrogen bond distance has been explored by a number of authors, primarily for intermolecular hydrogen bonding in crystals and hydrates [84,86,87,88,89,90,91,92]; see Bratos et al. for references to recent literature. However, application of the relationships proposed in these publications to.

the hydrogen-bond donor strength of the hydrogen-bond donor. and the hydrogen-bond acceptor capability of the hydrogen-bond acceptor. For the formation of hydrogen bonds two rules have been established: (i) All hydrogen-bond acceptors available in a molecule will be engaged in hydrogen bonds as far there are available donors.

THE structures of hydrogen-bonded molecular crystals have been studied extensively, and the resulting histograms of the distributions of the O–H ċ O bond. The Luckhurst-Samulski Prize Liquid Crystals Book series - Find out more.

Latest articles. Latest articles. dry liquid crystal properties, hydrogen bonding and molecular mobility of Palm Kernel oil mannosides. Investigations on discotic liquid crystals. Sandeep Kumar. Hydrogen Bonding – New Insights is an extensive text which takes numerous examples from experimental studies and uses these to illustrate theoretical investigations to allow a greater understanding of hydrogen bonding phenomenon.

The most important topics in recent studies are considered including. Hydrogen Atoms in SHELXL: HFIX Syntax: HFIX mn atomnames m describes the geometry and number of hydrogen atoms. n defines how the hydrogen atoms(s) are refined.

The SHELX manual has a list of all possible nand mnumbers. The book has a list of the most important combinations on page   The bond energies of very strong hydrogen bonds range between approximately 65 and kJ/mol, strong bonds between 15 and 65 kJ/mol, and weak hydrogen bonds around 15 kJ/mol or less.

The ππ interactions are somewhat weaker with interaction energies up to 50 kJ/mol.[ 6, 7 ] The strength of the halogen bonds is comparable with the hydrogen.The remaining hydrogen bond is between the secondary nitrogen of the five-membered ring and the N–H of the six-membered ring at a distance (N N) of Å.

In total, each ACV molecule participates in eight hydrogen bonds. The ether and aryl nitrogen do not participate in the hydrogen bonding .