Analyse conformationnelle theorique (methode CNDO/2) de quelques composes ditertiobutyles du phosphore (III) P(t-Bu)2X (X = H,F) |
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| Authors: | Monique Corosine François Crasnier |
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| Affiliation: | Laboratoire de Chimie de Coordination du CNRS, B.P. 4142, 31030 Toulouse cedexFrance |
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| Abstract: | Optimized geometries and conformational analysis of P(t-Bu)2F and P(t-Bu)2H molecules are investigated within the framework of the CNDO/2 approximation. The CPC angles are found to be equal to 114° in agreement with the 113°8 value provided by X-ray study of the trans-NiBr2 [P(t-Bu)2F]2 square planar complex. Therefore, it seems that the highest XPX value in the PX3 series is observed for di-tert-butyl derivatives and not for the tri-tert-butylphosphine. |
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