The ν3 vibration–rotation band of DCP and the equilibrium structure of methinophosphide

Abstract

The ν3 band of D12CP(C—P stretching) has been recorded at a resolution of about 0.03 cm−1. The band centre, ν0, is found to be at 1231.4025(6) cm−1, whereas a force constant calculation had previously given a value of 1216 cm−1. The rotational constant B3 is determined and this allows the calculation of Be since the constants B1 and B2 are already known. Finally, the equilibrium moment of inertia, Ie, of the D12CP molecule is calculated. Since Ie for the H12CP molecule is also known, the equilibrium internuclear distances of methinophosphide may be calculated. One obtains: re (C—H) 1.0666(2) Å, and re(C≡P) 1.54020(3) Å.