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- W4288710913 abstract "The complexes formed between three molecules where the diboryl units (HBH2BH) replace the C2H2 moiety in benzene (B6H12, C2B4H10, and C4B2H8) and 10 anions (H−, F−, Cl−, Br−, OH−, CCH−, CH3−, CN−, N3−, and CNO−) have been studied using MP2 computational methods with the complete basis set (CBS) extrapolation scheme. The stability of the complexes for a given anion increases with the number of diborane units in the molecules, and these energy values are correlated with the presence of different anions and number of diborane units. The electron density of the complexes has been characterized and analyzed using the quantum theory of atoms in molecules (QTAIM) and electron density shift (EDS) models." @default.
- W4288710913 created "2022-07-30" @default.
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- W4288710913 date "2022-07-29" @default.
- W4288710913 modified "2023-10-15" @default.
- W4288710913 title "Anion complexes of diborane derivatives inserted to benzene" @default.
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- W4288710913 doi "https://doi.org/10.1002/qua.26986" @default.
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