Experimental and Theoretical Studies of the VUV Photoionization of Chloropropylene Oxide

Autor:	Siu-Hung Chien and, Guohua Wu, Fei Qi, Shuqin Yu, Fuyi Liu, and Luisi Sheng, Chengxiang Li, Hui Gao, Wai-Kee Li, Yunwu Zhang
Rok vydání:	2001
Předmět:	Ab initio Oxide Photoionization Dissociation (chemistry) Spectral line Ion chemistry.chemical_compound chemistry Physics::Atomic and Molecular Clusters Physics::Atomic Physics Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Astrophysics::Galaxy Astrophysics Bond cleavage
Zdroj:	The Journal of Physical Chemistry A. 105:2973-2979
ISSN:	1520-5215 1089-5639
Popis:	The photoionization and dissociative photoionization of chloropropylene oxide have been studied both experimentally and theoretically. In experiments, photoionization efficiency spectra for ions C3H5O+, CHO+, C2H4+, C2H3+, C2H2+, CH3+, and CH2OH+ were obtained. Theoretically, the energetics of the dissociative photoionizations were examined by ab initio Gaussian-3 calculations. The computational results are useful in our attempt to establish the dissociative photoionization channels of chloropropylene oxide. These proposed channels include six simple bond cleavage reactions as well as a reaction involving intermediates and transition structures. The agreement between experimental and computational dissociation energies or barriers ranges from fair to excellent.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d275a8162095fe3dab501aeedd8a4128 https://doi.org/10.1021/jp0027546 Zobrazit plný text záznamu