Influence of halogen atom substitution and neutral HCN/anion CN− Lewis base on the triel-bonding interactions

被引:0
作者
Yuchun Li
Xiaoting Wang
Hui Wang
Yuxiang Ni
Hongyan Wang
机构
[1] Southwest Jiaotong University,School of Physical Science and Technology
来源
Journal of Molecular Modeling | 2021年 / 27卷
关键词
Noncovalent interaction; Triel bond; First-principles; Molecular structure; Electronic properties;
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  • [11] Priimagi A(2018)Two faces of triel bonds in boron trihalide complexes J Comput Chem 39 472-11189
  • [12] Resnati G(2014)Boron and other triel Lewis acid centers: from hypovalency to hypervalency ChemPhysChem 15 2985-24200
  • [13] Terraneo G(2012)σ-Holes, π-holes and electrostatically-driven interactions J Mol Model 18 541-246
  • [14] Alkorta I(2013)Halogen bonding and other σ-hole interactions: a perspective Phys Chem Chem Phys 15 11178-2011
  • [15] Elguero J(2018)Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors Phys Chem Chem Phys 20 24192-3186
  • [16] Del Bene JE(2019)α-Methylation and α-fluorination electronic effects on the regioselectivity of carbonyl groups of uracil by H and triel bonds in the interaction of U, T and 5FU with HCl and TrH J Mol Graph Model 88 237-26588
  • [17] Mó O(2012) (Tr = B, Al) J Mol Model 18 2003-124
  • [18] Montero-Campillo MM(2020)Characteristics and nature of the intermolecular interactions in boron-bonded complexes with carbene as electron donor: an Int J Quantum Chem 120 e26046-1164
  • [19] Yáñez M(2016), SAPT and QTAIM study ChemPhysChem 17 3181-11316
  • [20] Alkorta I(2017)Comparison of triel bonds with different chalcogen electron donors: its dependence on triel donor and methyl substitution Theor Chem Accounts 136 37-1171