Hydrogen and dihydrogen bonds in the reactions of metal hydrides
NV Belkova, LM Epstein, OA Filippov… - Chemical …, 2016 - ACS Publications
The dihydrogen bond an interaction between a transition-metal or main-group hydride (M
H) and a protic hydrogen moiety (H X) is arguably the most intriguing type of hydrogen …
H) and a protic hydrogen moiety (H X) is arguably the most intriguing type of hydrogen …
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide …
Abstract The CH3NH3PbI3 (methylammonium lead triiodide) perovskite semiconductor
system has been viewed as a blockbuster research material during the last five years …
system has been viewed as a blockbuster research material during the last five years …
Multi-center covalency: revisiting the nature of anion–π interactions
Exploring the nature of anion–π bonding by means of the Quantum Theory of Atoms in
Molecules (QTAIM) and an energy decomposition scheme on the basis of Interacting …
Molecules (QTAIM) and an energy decomposition scheme on the basis of Interacting …
On the non-classical contribution in lone-pair–π interaction: IQA perspective
Z Badri, C Foroutan-Nejad, J Kozelka… - Physical Chemistry …, 2015 - pubs.rsc.org
In the present work the nature of lone-pair–π interactions between water molecules and a
number of π-rings with different substituents/hetero-atoms in the light of quantum chemical …
number of π-rings with different substituents/hetero-atoms in the light of quantum chemical …
Significant evidence of C⋯ O and C⋯ C long-range contacts in several heterodimeric complexes of CO with CH 3–X, should one refer to them as carbon and dicarbon …
PR Varadwaj, A Varadwaj, BY Jin - Physical Chemistry Chemical …, 2014 - pubs.rsc.org
Noncovalent interactions in 18 weakly bound binary complexes formed between either of
the two end-on orientations of the CO molecule and the methylated carbon positive σ-hole …
the two end-on orientations of the CO molecule and the methylated carbon positive σ-hole …
Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site (s) on another molecule (s)? Like liking like!
A Varadwaj, PR Varadwaj, BY Jin - RSC advances, 2016 - pubs.rsc.org
We present in this study the possibility of the formation of attractive intermolecular
interactions between various entirely negative sites localized on a variety of atoms in …
interactions between various entirely negative sites localized on a variety of atoms in …
Experimental X-ray Electron Density Study of Atomic Charges, Oxidation States, and Inverted Ligand Field in Cu(CF3)4–
C Gao, G Macetti, J Overgaard - Inorganic Chemistry, 2019 - ACS Publications
The electron density distribution of the complex monoanion Cu (CF3) 4 in (Bu4N)[Cu (CF3)
4] has been studied by high-resolution X-ray single-crystal diffraction and augmented with …
4] has been studied by high-resolution X-ray single-crystal diffraction and augmented with …
Does Chlorine in CH3Cl Behave as a Genuine Halogen Bond Donor?
The CH3Cl molecule has been used in several studies as an example purportedly to
demonstrate that while Cl is weakly negative, a positive potential can be induced on its axial …
demonstrate that while Cl is weakly negative, a positive potential can be induced on its axial …
Contrasting behavior of the Z bonds in X–Z··· Y weak interactions: Z= main group elements versus the transition metals
In contrast to the increasing family of weak intermolecular interactions in main-group
compounds (X–Z··· Y, Z= main-group elements), an analysis of the Cambridge Structural …
compounds (X–Z··· Y, Z= main-group elements), an analysis of the Cambridge Structural …
Mutual interplay between pnicogen bond and dihydrogen bond in HMH⋯ HCN⋯ PH2X complexes (M= Be, Mg, Zn; X= H, F, Cl)
MD Esrafili, P Fatehi, M Solimannejad - Computational and Theoretical …, 2014 - Elsevier
The cooperativity between pnicogen bond and dihydrogen bond interactions in HMH⋯
HCN⋯ PH 2 X (M= Be, Mg, Zn; X= H, F, Cl) complexes is studied by ab initio calculations. To …
HCN⋯ PH 2 X (M= Be, Mg, Zn; X= H, F, Cl) complexes is studied by ab initio calculations. To …