NDLI: Vibrational spectroscopy and state-specific dissociation dynamics for vinyl chloride cation in the B state.

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Vibrational spectroscopy and state-specific dissociation dynamics for vinyl chloride cation in the B state.

Content Provider	Semantic Scholar
Author	Lee, Mina Kim, Myung Soo
Copyright Year	2007
Abstract	C(2)H(3)(35)Cl+ in the ground vibronic state was generated by one-photon mass-analyzed threshold ionization spectrometry, and its photodissociation in the 461-406 nm range was investigated. Ionization energy to the ground state of C(2)H(3)(35)Cl+ was 10.0062 +/- 0.0006 eV while its B state onset was higher by 2.7456 +/- 0.0003 eV. A vibrational spectrum of the cation in the B state obtained by recording the product ion yield as a function of wavelength was analyzed by referring to the quantum chemical results at the TDDFT/B3LYP/6-311++(df,pd) level. Analysis of product time-of-flight profiles recorded with different laser polarization angles showed that the dissociation pathway for the cation in the B state changed with the vibrational energy, from internal conversion to X and statistical dissociation therein to curve crossing to C and repulsive dissociation therein. B --> C curve crossing seemed to occur along a direction close to the C-Cl bond stretch.
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://mass.snu.ac.kr/journal/179.pdf
PubMed reference number	17676716v1
Volume Number	111
Issue Number	34
Journal	The journal of physical chemistry. A
Language	English
Access Restriction	Open
Subject Keyword	Cations Chloride Ion Ions Photons Polyvinyl Chloride Spectrometry Vinyl Chloride wavelength
Content Type	Text
Resource Type	Article

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