Dissociation of acetaldehyde in intense laser field: Coulomb explosion or field-assisted dissociation?

doi:10.1063/1.1598955

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	Dissociation of acetaldehyde in intense laser field: Coulomb explosion or field-assisted dissociation?
	Elshakre, ME ; Gao, LR ; Tang, XP ; Wang, SF ; Shu, YF ; Kong, FN
刊名	JOURNAL OF CHEMICAL PHYSICS
	2003-09-15
卷号	119 期号:11 页码:5397-5405
ISSN号	0021-9606
DOI	10.1063/1.1598955
英文摘要	Dissociation of acetaldehyde in moderate strong laser field of 10(13)-10(14) W/cm(2) was investigated. Singly charged parent ion CH3CHO+ and fragmental ions CH3+, CHO+, C2H4+, O+, CH2CHO+, and H+ were produced by 800 nm laser of 100 fs pulse duration and recorded by time-of-flight mass spectrometer. The CH3+ fragment further dissociated to CH2+, CH+, and C+ ions at higher intensity. Ab initio calculated results show that the singly-, doubly-, and triply charged parent ions are stable. So, the dissociation mechanism was not due to Coulomb explosion of multicharged ion. A field-assisted dissociation (FAD) theory, which assumes that only one bond undergoes dissociation while the rest of the molecular geometry stays unchanged, was employed to treat the dissociation dynamics. Accordingly, the dressed potential energy surfaces of the ground state for the parent and the fragment ions were calculated. Corresponding quasiclassical trajectory calculations show that the bond ruptures take place in the order of C-C, C-O, and C-H, agreeing with the observation. The observed angular dependence and charge distribution of the product ions can also be interpreted by the FAD theory. (C) 2003 American Institute of Physics.
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000185025000010
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/79757]
专题	中国科学院化学研究所
通讯作者	Kong, FN
作者单位	1.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China 2.Cairo Univ, Coll Sci, Dept Chem, Cairo, Egypt
推荐引用方式 GB/T 7714	Elshakre, ME,Gao, LR,Tang, XP,et al. Dissociation of acetaldehyde in intense laser field: Coulomb explosion or field-assisted dissociation?[J]. JOURNAL OF CHEMICAL PHYSICS,2003,119(11):5397-5405.
APA	Elshakre, ME,Gao, LR,Tang, XP,Wang, SF,Shu, YF,&Kong, FN.(2003).Dissociation of acetaldehyde in intense laser field: Coulomb explosion or field-assisted dissociation?.JOURNAL OF CHEMICAL PHYSICS,119(11),5397-5405.
MLA	Elshakre, ME,et al."Dissociation of acetaldehyde in intense laser field: Coulomb explosion or field-assisted dissociation?".JOURNAL OF CHEMICAL PHYSICS 119.11(2003):5397-5405.