Very large zero field splittings in the triplet state of an asymmetric top: Rotational analysis and Zeeman effects in the 820 nm a 3A2– X 1A1 band system of selenoformaldehyde.

Autor: Joo, Duck-Lae, Clouthier, Dennis J., Judge, R. H., Moule, D. C.
Předmět:
Zdroj: Journal of Chemical Physics; 5/15/1995, Vol. 102 Issue 19, p7351, 8p
Abstrakt: High-resolution laser induced phosphorescence spectra of the 820 nm band system of selenoformaldehyde have been recorded with Doppler-limited resolution. Rotational analysis of the 000 bands of D2C80Se, H2C78Se, and H2C80Se revealed only P, Q, and R branches obeying ΔKa=0 selection rules with no evidence of spin splittings. However, these bands show pronounced Zeeman broadening which is linearly dependent on the upper state J value. These results are interpreted as the consequences of case (ab) coupling in the a 3A2 state, in which there is a large zero field splitting due to substantial mixing of two of the spin components with the nearby 3A1(π,π*) state. The only other asymmetric top molecule known to exhibit case (ab) coupling in the triplet state is carbon disulfide. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR]
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