화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.112, No.12, 2572-2578, 2008
Infrared-vacuum ultraviolet pulsed field ionization-photoelectron study of C2H4+ using a high-resolution infrared laser
The infrared (IR)-vacuum ultraviolet (VUV)-pulsed field ionization-photoelectron (IR-VUV-PFI-PE) spectrum for C2H4((X) over tilde (1)A(g), upsilon(11) = 1, N-Ka'Kc'' = 3(03)) in the VUV range of 83 000-84 800 cm(-1) obtained using a single mode infrared laser revealed 24 rotationally resolved vibrational bands for the ion C2H4+((X) over tilde B-2(3u)) ground state. The frequencies and symmetry of the vibrational bands thus determined, together with the anharmonic frequency predictions calculated at the CCSD(T)/aug-cc-pVQZ level, have allowed the unambiguous assignment of these vibrational bands. These bands are mostly combination bands. The measured frequencies of these bands yield the fundamental frequencies for upsilon(+)(8) = 1103 +/- 10 cm(-1) and upsilon(+)(10) = 813 +/- 10 cm(-1) of C2H4+((X) over tilde B-2(3u)), WHich have not been determined previously. The present IR-VUV-PFI-PE study also provides truly rovibrationally selected and resolved state-to-state cross sections for the photoionization transitions C2H4((X) over tilde (1)A(g), upsilon(11), N-Ka'Kc'') -> C2H4+((X) over tilde (2)B(3)u; upsilon(+)(i), N-Ka+Kc+(+)), where N-Ka'Kc'' denotes the rotational level of C2H4((X) over tilde (1)A(g), upsilon(11)), and upsilon(+)(i) and N-Ka+Kc+(+) represent the vibrational and rotational states of the cation.