Journal ArticleDOI
The hydrogen bond in the solid state.
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TLDR
The hydrogen bond is the most important of all directional intermolecular interactions, operative in determining molecular conformation, molecular aggregation, and the function of a vast number of chemical systems ranging from inorganic to biological.Abstract:
The hydrogen bond is the most important of all directional intermolecular interactions. It is operative in determining molecular conformation, molecular aggregation, and the function of a vast number of chemical systems ranging from inorganic to biological. Research into hydrogen bonds experienced a stagnant period in the 1980s, but re-opened around 1990, and has been in rapid development since then. In terms of modern concepts, the hydrogen bond is understood as a very broad phenomenon, and it is accepted that there are open borders to other effects. There are dozens of different types of X-H.A hydrogen bonds that occur commonly in the condensed phases, and in addition there are innumerable less common ones. Dissociation energies span more than two orders of magnitude (about 0.2-40 kcal mol(-1)). Within this range, the nature of the interaction is not constant, but its electrostatic, covalent, and dispersion contributions vary in their relative weights. The hydrogen bond has broad transition regions that merge continuously with the covalent bond, the van der Waals interaction, the ionic interaction, and also the cation-pi interaction. All hydrogen bonds can be considered as incipient proton transfer reactions, and for strong hydrogen bonds, this reaction can be in a very advanced state. In this review, a coherent survey is given on all these matters.read more
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Protonated MIL-125-NH2: Remarkable Adsorbent for the Removal of Quinoline and Indole from Liquid Fuel
TL;DR: This work employed an amino (-NH2)-functionalized MIL-125 (MIL-125-NH2) MOF, which was further modified by protonation, which exhibited extraordinary performance in the adsorption of both IND and QUI and showed that these materials can be used several times without any severe degradation.
Journal ArticleDOI
The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions
TL;DR: In this paper, the competition between hydrogen bonds and halogen bonds was examined with a probe molecule containing multiple potential acceptor sites and one hydrogen-bond donor, and five heteroaryl-2-imidazoles were synthesized and subsequently co-crystallized with fifteen different halogen-bund donors.
Journal ArticleDOI
An efficient ruthenium(IV) catalyst for the selective hydration of nitriles to amides in water under mild conditions
TL;DR: A Ru(IV) catalyst able to promote the selective hydration of nitriles to amides in water, at low metal loadings and under mild conditions, is presented.
Journal ArticleDOI
Vibrational spectroscopic force field studies of dimethyl sulfoxide and hexakis(dimethyl sulfoxide)scandium(III) iodide, and crystal and solution structure of the hexakis(dimethyl sulfoxide)scandium(III) ion
Mikhail Yu. Skripkin,Mikhail Yu. Skripkin,Patric Lindqvist-Reis,Alireza Abbasi,János Mink,Ingmar Persson,Magnus Sandström +6 more
TL;DR: The iodide ion-dipole attraction shifts the methyl group C-H stretching frequency for (S-)C-H...I(-) more than for the intermolecular (S-O)...O interactions in liquid dimethyl sulfoxide.
Journal ArticleDOI
Conformational cooling dynamics in matrix-isolated 1,3-butanediol.
TL;DR: The complete conformational space of monomeric 1,3-butanediol has been characterized theoretically, and 73 unique stable conformers were found at the MP2/6-311++G(d,p) level, and two forms of the most stable hydrogen bonded family were found in the annealed matrix in equal amounts.
References
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Journal ArticleDOI
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
Journal ArticleDOI
Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals
TL;DR: In this article, a review of the most promising systematic approaches to resolving this enigma was initially developed by the late M. C. Etter, who applied graph theory to recognize, and then utilize, patterns of hydrogen bonding for the understanding and design of molecular crystals.
Book
An Introduction to Hydrogen Bonding
TL;DR: In this paper, the authors discuss the properties of strong and moderate hydrogen bonds in biological molecules and include inclusion of inclusion compounds in the graph set theory of graph set theories, which is used in this paper.