Stabilization of a π double bond between two boron atoms
作者： C. Jouany , J.C. Barthelat , J.P. Daudey
DOI: 10.1016/0009-2614(87)87297-4
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摘要: Abstract The low-lying states of HBBH, HBBNH 2 and H NBBNH are investigated by means ab initio CI calculations using a double-zeta + polarization basis set. Diborene is found to have 3 ∑ g − ground state. Replacement hydrogen amino groups on each side the BB bond leads an ethylene-like which corresponds 1 A state D 2h symmetry. π back-donation lone pairs responsible for stabilization this
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