The formation of H···X hydrogen bond, C···X carbon-halide or Si···X tetrel bonds on the silylene-halogen dimers (X = F or Cl): intermolecular strength, molecular orbital interactions and prediction of covalency

作者: Boaz Galdino de Oliveira , Abedien Zabardasti , Danilo Guimarães do Rego , Mohsen Mohammad Pour

DOI: 10.1007/S00214-020-02644-6

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摘要: … modes, molecular topology, bonding energy, thermodynamic … by means of the natural bond orbitals as well as by the … dominated by hydrogen bond, carbon-halide bond or tetrel bond. At …

参考文章(139)
Peter Politzer, Jane S. Murray, Timothy Clark, σ-Hole Bonding: A Physical Interpretation Topics in Current Chemistry. ,vol. 358, pp. 19- 42 ,(2014) , 10.1007/128_2014_568
S. S. Batsanov, Van der Waals Radii of Elements Inorganic Materials. ,vol. 37, pp. 871- 885 ,(2001) , 10.1023/A:1011625728803
Boaz G. Oliveira, Mário L.A.A. Vasconcellos, The ethyl cation as proton donor for dihydrogen bonds in the mC2H5+⋯nMgH2 (m = 1 or 2 and n = 1 or 2) complex: A theoretical study Inorganic Chemistry Communications. ,vol. 12, pp. 1142- 1144 ,(2009) , 10.1016/J.INOCHE.2009.09.010
Frank Weinhold, Clark R. Landis, Discovering Chemistry With Natural Bond Orbitals ,(2012)
Peifeng Su, Zuochang Chen, Wei Wu, An energy decomposition analysis study for intramolecular non-covalent interaction Chemical Physics Letters. ,vol. 635, pp. 250- 256 ,(2015) , 10.1016/J.CPLETT.2015.06.078
Vincent Tognetti, Laurent Joubert, Electron density Laplacian and halogen bonds Theoretical Chemistry Accounts. ,vol. 134, pp. 90- ,(2015) , 10.1007/S00214-015-1685-8
F Richard, R Bader, Atoms in molecules : a quantum theory Clarendon Press. ,(1990)
B. Vijaya Pandiyan, P. Deepa, P. Kolandaivel, Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a σ-hole? Physical Chemistry Chemical Physics. ,vol. 17, pp. 27496- 27508 ,(2015) , 10.1039/C5CP03625A
Ali Ebrahimi, Hafez Razmazma, Hojat Samareh Delarami, The Nature of Halogen Bonds in (N∙∙∙X∙∙∙N) + Complexes: A Theoretical Study Physical Chemistry Research. ,vol. 4, pp. 1- 15 ,(2016) , 10.22036/PCR.2016.11619