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• W2017270524 abstract "The electronic structure of the recently synthesized complex 5 obtained by the reaction of Cp2Ti(PMe3)(tBu-CP) with (Et2BH)2 was analyzed by means of molecular orbital (MO) calculations. The methods applied were the extended Hückel and the ab initio Hartree-Fock procedures. The highest occupied MOs were derived from molecular fragments. The geometrical parameters calculated for a simplified model (6) are close to those obtained from an X-ray investigation of 5. The analysis of the results shows a strong donor-acceptor interaction between the P-B ó bond and the Ti center. The phosphorus lone pair is not involved in bonding." @default.
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• W2017270524 date "1995-08-01" @default.
• W2017270524 modified "2023-10-01" @default.
• W2017270524 title "Electronic Structure of Planar-Tricoordinated Phosphorus in Titanium-Boron Complexes" @default.
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• W2017270524 doi "https://doi.org/10.1002/cber.19951280806" @default.
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