气候变化领域集成服务门户(CCPortal): Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction

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DOI	10.1126/science.abb2235
	Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction
	Yang J.; Zhu X.; F. Nunes J.P.; Yu J.K.; Parrish R.M.; Wolf T.J.A.; Centurion M.; Gühr M.; Li R.; Liu Y.; Moore B.; Niebuhr M.; Park S.; Shen X.; Weathersby S.; Weinacht T.; Martinez T.J.; Wang X.
发表日期	2020
ISSN	0036-8075
起始页码	885
结束页码	889
卷号	368 期号:6493
英文摘要	Simultaneous observation of nuclear and electronic motion is crucial for a complete understanding of molecular dynamics in excited electronic states. It is challenging for a single experiment to independently follow both electronic and nuclear dynamics at the same time. Here we show that ultrafast electron diffraction can be used to simultaneously record both electronic and nuclear dynamics in isolated pyridine molecules, naturally disentangling the two components. Electronic state changes (S1→S0 internal conversion) were reflected by a strong transient signal in small-angle inelastic scattering, and nuclear structural changes (ring puckering) were monitored by large-angle elastic diffraction. Supported by ab initio nonadiabatic molecular dynamics and diffraction simulations, our experiment provides a clear view of the interplay between electronic and nuclear dynamics of the photoexcited pyridine molecule. Copyright © 2020 The Authors.
关键词	electron electronic equipment molecular analysis observational method
语种	英语
来源机构	Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/133478
推荐引用方式 GB/T 7714	Yang J.,Zhu X.,F. Nunes J.P.,et al. Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction[J]. Science,2020,368(6493).
APA	Yang J..,Zhu X..,F. Nunes J.P..,Yu J.K..,Parrish R.M..,...&Wang X..(2020).Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction.,368(6493).
MLA	Yang J.,et al."Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction".368.6493(2020).