Nonresonant two-photon mass analyzed threshold ionization and zero kinetic energy photoelectron investigation of the X̃ 2B1 ground state of CH2CO+ and CD2CO+

From National Research Council Canada

DOI	Resolve DOI: https://doi.org/10.1063/1.1506157
Author	Search for: Wang, Shiliang¹ ; Search for: Shi, Yujun¹ ; Search for: Jakubek, Zygmunt J.¹ ; Search for: Barnett, Michael¹ ; Search for: Simard, Benoit¹ ; Search for: Müller-Dethlefs, Klaus¹ ; Search for: Liu, Ching-Ping; Search for: Lee, Yuan-Pern
Name affiliation	National Research Council Canada. NRC Steacie Institute for Molecular Sciences
Format	Text
Type	Article
Journal title	The Journal of Chemical Physics
ISSN	0021-9606 1089-7690
Volume	117
Issue	14
Pages	6546–6555
Abstract	Rotationally resolved nonresonant two-photon mass analyzed threshold ionization (MATI) and zero kinetic energy (ZEKE) photoelectron spectra of CH2CO+ and CD2CO+ are reported. The spectra are dominated by the origin band and totally symmetric a1 vibrations, ν4 (C=C symmetric stretch) and ν2 (C=O asymmetric stretch) for CH2CO+, and ν1 (C=O asymmetric stretch), ν3 (C=C symmetric stretch), and ν4 (CD2 scissor) for CD2CO+. In addition, several weaker bands are observed in the MATI spectra: ν3 (CH2 scissor) in CH2CO+; b1 vibrations ν5 and ν6 (C=C=O linear bend and CH2 wag) in both isotopomers; b2 vibration ν8 (CD2 rock) for CD2CO+; b2 vibration ν9 (C=C=O linear bend) for CH2CO+; as well as overtones and combination bands. Rotational structure of the origin band is dominated by three very strong ΔKa=±1 bands with 2 orders of magnitude weaker ΔKa=+3 bands. A similar ΔKa=±1 three-band pattern is observed for the a 1 vibrational modes. For the b1 modes a single-band pattern resulting from the ΔKa=0 selection rule is present. Fundamental wave numbers for six vibrational modes of CH2CO+ and seven modes of CD2CO+ are determined. Rotational analysis of the partially resolved ZEKE spectra yields the ionization potentials (77539.4±2.0 cm−1 for CH2CO and 77534.3±2.0 cm−1 for CD2CO) and rotational constants for the ground states of both ketene cations.
Publication date	2002-10-08
Publisher	AIP Publishing
Terms of use	Permission is granted to temporarily download one copy of the materials for personal, noncommercial transitory viewing only. NRC Publications Archive - Copyright and terms of use
Language	English
Peer reviewed	Yes
NPARC number	23000455
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Record identifier	d474fdc8-59d4-4db2-9d30-54b52430185f
Record created	2016-07-20
Record modified	2017-03-23

Date modified:: 2019-03-23

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