New PDF release: Dihydrogen Bond: Principles, Experiments, and Applications

By Vladimir I. Bakhmutov

ISBN-10: 047018096X

ISBN-13: 9780470180969

This definitive reference consolidates present wisdom on dihydrogen bonding, emphasizing its position in organizing interactions in numerous chemical reactions and molecular aggregations. After an outline, it analyzes the diversities among dihydrogen bonds, classical hydrogen bonds, and covalent bonds. It describes dihydrogen bonds as intermediates in intramolecular and intermolecular proton move reactions. It describes dihydrogen bonding within the solid-state, the gasoline part, and in resolution. this can be the premiere reference for actual chemists, biochemists, biophysicists, and chemical engineers.

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It has been found that M· · ·H bonding is more effective when the proton-accepting strength of the metal atom increases. Intermolecular hydrogen bonds M· · ·H have been found in solutions containing organic acids (or acidic alcohols) and metallocenes, Cp2 M; decamethylmetallocenes, Cp2 *M; or half-sandwich complexes, CpML2 . Again, hydrogen-bonded complexes found by IR spectra in ν(OH) regions and ν(OH) red shifts, varying from 200 to 500 cm−1 , have been used to determine the relative strength of nonconventional hydrogen bonding.

Here the bond critical points are marked as squares and the ring critical points as triangles. The labels of the nuclei located in the mirror plane (the plane of the paper) are solid, and those that do not lie in this plane are open. (Reproduced with permission from ref. 4. 0347 Level of Calculation a Obtained by HF and MP2 calculations. HNO· · ·HF, HNO· · ·HOH, LiH· · ·HF, and LiH· · ·HOH. 5 summarizes the data obtained at the HF/6-31G* theoretical level. First, as in the case of conventional hydrogen bonds, the total energy of dihydrogen bonding depends on the strength of a proton donor and the total energy increases by 4 kcal/mol on going from Li–H· · ·HOH to Li–H· · ·HF.

139 au. 4, obtained by two computing methods, support the reliability of the conclusions. One aspect important for an understanding of the nature of dihydrogen-bonded complexes is their bonding energies, particularly different components that contribute to the total formation energies. 10 Schematic representation of all the critical points in the dimeric structure (BH3 –NH3 )2 . The hydrogen atoms are represented by the small gray spheres, and the bond critical points are represented by the small black spheres.

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Dihydrogen Bond: Principles, Experiments, and Applications by Vladimir I. Bakhmutov


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