Theoretical conformational analysis of lewis adducts: II. CNDO/2 Calculations versus microwave data for methylphosphine borane, (CH3)H2P·BH3

On the conformational analysis of (CH3)3

On the conformational analysis of (CH3)3M (M = N, P, CH, SiH) molecules: CNDO/2 calculations versus experimental data. LEM or calder conformation?

✍ M. Corosine; F. Crasnier; M.-C. Labarre; J.-F. Labarre; C. Leibovici 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 394 KB

CNDO/Z calculations are performed for the homogeneous series of (CH$+l compounds (hI = N, P, CH. SiH) in order to determine the molecular equilibrium conformation. In agreement with available experimental data for the amine, the phosphine and the sihne, the theoretical energy minimum is found for t