Spin-forbidden shake-up states of OCS molecule studied by resonant photoelectron spectroscopy

A comprehensive study of the vibrationally resolved S 2p−1 Auger electron spectrum of carbonyl sulfide

“…Complementary calculations of the AES had been reported by Carroll et al 12 and by Minelli et al 15 On the other hand, several studies exist of resonant AES (Ref. [16][17][18] as well as of resonant X-ray fluorescence spectra of this molecule. [18][19][20] In this context, a core-excited state of the sulphur atom with an exceptionally long core-hole lifetime had been observed.…”

Specific production of very long-lived core-excited sulfur atoms by 2p−1σ* excitation of the OCS molecule followed by ultrafast dissociation

“…The 2p core-electron spectra of OCS have been investigated in some detail as summarized recently by Masuda et al (2004). The resonant Auger electron spectrum of OCS was measured on beam line I411 at MAX-LAB in Lund, Sweden (Bassler et al 2001).…”

Renner−Teller Bending Frequencies of the à 2Π State of OCS+

“…More recently there have been several purely theoretical forays [25][26][27][28] aimed toward characterizing the potential energy surface of the à 2 Π state of OCS + , though none have focused on the Renner-Teller bending frequencies: Chen, Huang, and Chang examined 25,26 low-lying electronic states and dissociation channels of OCS + using complete active space second-order perturbation theory; Masuda, Hatsui, and Kosugi 28 presented excitation energies for low-lying states based on MRCI computations including single, double, and triple excitations; and Hirst computed 27 potential energy surfaces for six electronic states using MRCI.…”

“…Indeed, the differences are so profound in assignments of the higher Fermi polyads that no common assignments can be found in the two studies. The primary cause for the difference in the two sets of assignments arises from different values for the bending frequency: the value recommended by Sommavilla and Merkt is less than half of the C-S stretching frequency (809 ( 6 cm -1 ) while in the analysis of Chen et al the bending frequency used is more than half of the C-S stretching More recently there have been several purely theoretical forays [25][26][27][28] aimed toward characterizing the potential energy surface of the A ˜2Π state of OCS + , though none have focused on the Renner-Teller bending frequencies: Chen, Huang, and Chang examined 25,26 low-lying electronic states and dissociation channels of OCS + using complete active space second-order perturbation theory; Masuda, Hatsui, and Kosugi 28 presented excitation energies for low-lying states based on MRCI computations including single, double, and triple excitations; and Hirst computed 27 potential energy surfaces for six electronic states using MRCI.…”

“…There have also been numerous theoretical studies of the à 2 Π state of OCS + in the past decade. ,,− In 1996, Hubin-Franskin et al presented a joint experimental−theoretical study examining low-lying electronic states of OCS + using the TPEPICO method as well as ab initio computed potential energy surfaces for the O−C and C−S stretching coordinates. In 2001, Takeshita, Shida, and Miyoshi examined 24 the vibrational structure of photoelectron spectra based on comparisons with simulated ionization intensity curves.…”