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	Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy
	Liu Y(刘源) ; Zhang LF(张凌峰) ; Ning CG(宁传刚) ; Liu Yuan ; Cheung Ling-Fung ; Ning Chuan-Gang
	2016-03-30 ; 2016-03-30
关键词	electron momentum spectroscopy delocalized molecular orbital localized molecular orbital O413.2
其他题名	Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy
中文摘要	Recently, there was a hot controversy about the concept of localized orbitals, which was triggered by Grushow's work titled "Is it time to retire the hybrid atomic orbital?" [J. Chem. Educ. 88, 860(2011)]. To clarify the issue, we assess the delocalized and localized molecular orbitals from an experimental view using electron momentum spectroscopy. The delocalized and localized molecular orbitals based on various theoretical models for CH4, NH3, and H2O are compared with the experimental momentum distributions. Our results show that the delocalized molecular orbitals rather than the localized ones can give a direct interpretation of the experimental(e, 2e) results.; Recently, there was a hot controversy about the concept of localized orbitals, which was triggered by Grushow's work titled "Is it time to retire the hybrid atomic orbital?" [J. Chem. Educ. 88, 860(2011)]. To clarify the issue, we assess the delocalized and localized molecular orbitals from an experimental view using electron momentum spectroscopy. The delocalized and localized molecular orbitals based on various theoretical models for CH4, NH3, and H2O are compared with the experimental momentum distributions. Our results show that the delocalized molecular orbitals rather than the localized ones can give a direct interpretation of the experimental(e, 2e) results.
语种	英语 ; 英语
内容类型	期刊论文
源URL	[http://ir.lib.tsinghua.edu.cn/ir/item.do?handle=123456789/146030]
专题	清华大学
推荐引用方式 GB/T 7714	Liu Y,Zhang LF,Ning CG,et al. Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy[J],2016, 2016.
APA	刘源,张凌峰,宁传刚,Liu Yuan,Cheung Ling-Fung,&Ning Chuan-Gang.(2016).Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy..
MLA	刘源,et al."Assessment of delocalized and localized molecular orbitals through electron momentum spectroscopy".(2016).

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