Potential Function for the Ring Puckering Vibration of B2H6and B2D6

摘要

Thev equals; 1 rarr; 2transition of the ring puckering mode of B2H6has been observed at 389.5plusmn;0.5 cmminus;1and identified on the basis of relative intensity measurements of the rotational fine structure of the overlappedv equals; 0 rarr; 1andv equals; 1 rarr; 2bands. The band center for the ring puckering fundamental has been determined to be 369.3 cmminus;1utilizing an asymmetric rotor calculation. The potential function for the ring puckering vibration based on thev equals; 0 rarr; 1andv equals; 1 rarr; 2transitions isV(X) equals; 25.25(X4plus;11.78X2), whereXis a reduced coordinate. The band centers for thev equals; 0 rarr; 1andv equals; 1 rarr; 2bands for B2D6were assigned to the ``holes'' in the band envelope at 261.3 and 272.6 cmminus;1, respectively. The rotational fine structure in the bands of the deuterated molecule was not resolved. The potential for the deuterated molecule predicted from a reduced mass model isV(X) equals; 15.93(X4plus;14.71X2).