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1 Bulletin of the Polish Academy of Sciences. Chemistry

1 2002

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Vibrational structure of linear [ClDCl] transition region species formed by 243-nm photodissociation of (DCl)2

Che D.-C., Hashinokuchi M., Kasai T., Kobayashi D., Mitani M., Yoshioka Y.

Bulletin of the Polish Academy of Sciences. Chemistry

2002

Vol. 50, No. 4

491-499

243-nm photodissociatiori of hydrogen-bonded DC1 dimer, which was selected prior to photodissociation, has been studied using a 1-meter electrostatic hexapole state-selector. The fast velocity component of Doppler-selected TOP spectrum for the dissociated D atom reveals an oscillating structure, which is expected to be footprint of vibra-tional structure of the photodissociation counterpart, namely [C1DC1] transition region species for Cl + DC1 elementary reaction. The ab initio calculation at MRCI level was carried out in order to assign the vibrational frequencies for antisymmetric stretching mode of [C1DC1], assuming it to be linear structure. We find that the lowest three vibrational levels of [C1DC1] obtained from the calculation coincides with the experimental results. This result suggests that the oscillating structure in the TOP fast velocity component reflects nascent vibration of the [C1DC1] transient species, which we may call transition region species during Cl + DC1 elementary reaction.