MINDO/3 AND MNDO CALCULATIONS OF PHOSPHINES: CONFORMATIONAL ENERGIES, ROTATIONAL BARRIERS, BOND LENGTHS AND BOND ANGLES

MINDO/3 and MNDO derived heats of formation data are reported for all low-energy, unique conformations of PH 3 , PH 2 Me, PH 2 Et, PH 2 -i-Pr, PH 2 -t-Bu, PH 2 Ph, PHMe 2 , PHMeEt, PHEt 2 , PH(i-Pr) 2 , PMe 3 , PMe 2 Et, PMeEt 2 , PEt 3 , and PMe 2 Ph. In general, the computational methods predict similar stability orders for the conformations of each molecule. The conformational energies, as well as calculated rotational barriers, bond lengths and bond angles, are compared to previously reported computational and experimental data.