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• W2078204696 abstract "The tantalum n-butoxide complex of Cp★Ta(StBu)3(OnBu) (1) (CP★  C5Me5) has been isolated as a minor product from the reaction of Cp★TaCl4 with LiStBu in THF. The crystal structure of 1 consists of two crystallographically independent molecules with distinctly different TaOC angles, where a larger angle is associated with a longer TaO bond and vice versa. EHMO calculations on the model CpTa(SH)3(OH) showed that the potential energy curve against the TaOH angle is in fact flat while the TaO overlap population decreases as the TaOH bond bends. Crystallographic data: 1, space group P21, a = 9.134(4), b = 12.078(7), c = 27.74(2) Å, β = 92.39(6)°; Z = 4; 4515 reflections with I > 3.0σ,(I); R = 0.038, Rw = 0.052." @default.
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• W2078204696 date "1994-05-01" @default.
• W2078204696 modified "2023-09-26" @default.
• W2078204696 title "Linear vs. bent MOR bonds in d0 metal alkoxides: X-ray crystal structure of (C5Me5)Ta(StBu)3(OnBu) and EHMO analysis" @default.
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• W2078204696 doi "https://doi.org/10.1016/0022-328x(94)88114-6" @default.
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