Journal ArticleDOI
Non-conventional hydrogen bonds
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In this paper, the authors define the hydrogen bond as an attractive interaction between two molecular moieties in which at least one of them contains a hydrogen atom that plays a fundamental role.Abstract:
Hydrogen bonds (HBs) are the most important ‘weak’ interactions encountered in solid, liquid and gas phases. The HB can be defined as an attractive interaction between two molecular moieties in which at least one of them contains a hydrogen atom that plays a fundamental role. Classical HBs correspond to those formed by two heteroatoms, A and B, with a hydrogen atom bonded to one of them and located approximately in between (A–H···B). Recently, knowledge of the number of functional groups which act as hydrogen bond donors or acceptors has increased considerably and most of these new groups are discussed.read more
Citations
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Self-assembly of mercaptane-metallacarborane complexes by an unconventional cooperative effect: a C-H...S-H...H-B hydrogen/dihydrogen bond interaction.
José Giner Planas,Clara Viñas,Francesc Teixidor,Aleix Comas-Vives,Gregori Ujaque,Agustí Lledós,Mark E. Light,Michael B. Hursthouse +7 more
TL;DR: The findings, besides documenting structurally the first S-H...(H-B)2 dihydrogen bond and the unconventional cooperative ability of a boron-attached SH group, prove that substituted carboranes have the potential to serve as building blocks for assembling complex structures.
Journal ArticleDOI
Comparison between hydrogen and dihydrogen bonds among H3BNH3, H2BNH2, and NH3
Tapas Kar,Steve Scheiner +1 more
TL;DR: In this paper, Moller-Plesset second-order perturbation theory with aug-cc-pVDZ basis set was used to understand the effect of different hybridization.
Journal ArticleDOI
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH 3 NH 3 PbI 3 hybrid organic-inorganic halide perovskite solar cell semiconductor
TL;DR: The prevailing view of hydrogen bonding in CH3NH3PbI3 is misleading as it does not alone determine the a−b+a− tilting pattern of the PbI64− octahedra, so these interactions should not be regarded as the sole determinants of octahedral tilting since lattice dynamics is known to play a critical role.
Journal ArticleDOI
Hydrogen bond cooperativity and electron delocalization in hydrogen fluoride clusters
TL;DR: In this paper, the density functional theory (DFT) was used to investigate the energy, structural, electronic and thermodynamics properties of the hydrogen fluoride cluster, (HF)n, in the range n=2-8.
Journal ArticleDOI
Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3
TL;DR: The facile synthesis of aminodiborane will make this long-sought active chemical reagent readily available for both inorganic and organic reactions.
References
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Book
Atoms in molecules : a quantum theory
TL;DR: In this article, the quantum atom and the topology of the charge desnity of a quantum atom are discussed, as well as the mechanics of an atom in a molecule.
Journal ArticleDOI
Characterization of c-h-o hydrogen-bonds on the basis of the charge-density
Uwe Koch,Paul L. A. Popelier +1 more
TL;DR: In this paper, a set of criteria are proposed based on the theory of "atoms in molecules" to establish hydrogen bonding, even for multiple interactions involving C-H-O hydrogen bonds.
Journal ArticleDOI
The C-h···o hydrogen bond: structural implications and supramolecular design.
TL;DR: It is clearly no longer necessary to justify the relevance of C-H’‚‚O hydrogen bonds, so widely invoked are they in small-molecule and biological crystallography and supramolecular synthesis and crystal engineering.
Journal ArticleDOI
The development of versions 3 and 4 of the Cambridge Structural Database System
F.H. Allen,John E. Davies,Jean J. Galloy,Owen Johnson,Olga Kennard,Clare F. Macrae,Eleanor M. Mitchell,Gary F. Mitchell,J. Michael Smith,David G. Watson +9 more
TL;DR: The CSD itself acts as a computerized depository for large-volume numerical results for some 30 journals and may conveniently be categorized according to its "dimensionality", as described below and illustrated in Figure 1.