Theoretical study of closo-borate derivatives of general type [BnHn-1COR]2– (n = 6, 10, 12; R = H, CH3, NH2, OH, OCH3) – Borylated analogue of organic carbonyl compounds

Title
Theoretical study of closo-borate derivatives of general type [BnHn-1COR]2– (n = 6, 10, 12; R = H, CH3, NH2, OH, OCH3) – Borylated analogue of organic carbonyl compounds
Authors
Keywords
DFT, Closo, -borate anions, Reactivity descriptors, QTAIM analysis, Carbonyl derivatives
Journal
POLYHEDRON
Volume 187, Issue -, Pages 114682
Publisher
Elsevier BV
Online
2020-06-18
DOI
10.1016/j.poly.2020.114682

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