Quantitative Assessment of B−B−B, B−H b −B, and B−H t Bonds: From BH 3 to B 12 H 12 2−

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Structures and stabilities of higher coordinate onium-boronium dications (X(+)BH(3)+ and X(+)BH(5)+; X = NH(3), PH(3), H(2)O, and H(2)S).

Structures of higher coordinate onium-boronium dications (X(+)BH(3)+ 1-4a and X(+)BH(5)+ 1-4d; X = NH(3), PH(3), H(2)O, and H(2)S) were calculated by using the ab initio method at the MP2/6-311+G** level. All of the dications 1-4a contain a four-coordinate boron atom with a three-center two-electron bond involving boron and two hydrogens. On the other hand, all the dications 1-4d contain a six-...

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ژورنال

عنوان ژورنال: ChemPhysChem

سال: 2019

ISSN: 1439-4235,1439-7641

DOI: 10.1002/cphc.201900364