STUDIES ANDAB INITIOCALCULATIONS ON THE CHARACTERISTICS OF THE C STATE OFSF2

Xiaoguo Zhou, Shuqin Yu (), Zhenyu Sheng, Xingxiao Ma, Yajun Liu, Mingbao Huang and Quanxin Li
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Xiaoguo Zhou: Open Laboratory of Bond-selective Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, P R China;
Shuqin Yu: Open Laboratory of Bond-selective Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, P R China;
Zhenyu Sheng: Open Laboratory of Bond-selective Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, P R China;
Xingxiao Ma: Open Laboratory of Bond-selective Chemistry, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, P R China
Yajun Liu: Graduate School at Beijing, University of Science and Technology of China, Academia Sinica, PO Box 3908, Beijing 100039, P R China
Mingbao Huang: Graduate School at Beijing, University of Science and Technology of China, Academia Sinica, PO Box 3908, Beijing 100039, P R China
Quanxin Li: Department of Chemical System Engineering, School of Engineering, University of Tokyo, Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan

Surface Review and Letters (SRL), 2002, vol. 09, issue 01, 69-75

Abstract: SF2radicals were generated by a pulsed dc discharge in a gas beam ofSF2and Ar. The (2+1) resonance-enhanced multiphoton ionization (REMPI) excitation spectrum ofSF2radical was obtained between 330 and 365 nm. TheSF+cation signals were also observed in the same wavelength range.Ab initiocalculations show that the C state is a predissociative state with Rydberg characteristics. The REMPI spectrum is assigned to a two-photon resonant excitation of theSF2radical (theB1B1andC1A1states). Potential energy curves of excited states of theSF2radical obtained byab initiocalculations suggest thatSF+cations originate from the ionization of SF fragments yielded from the dissociation of the C state.

Date: 2002
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DOI: 10.1142/S0218625X02001975

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