Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory

	Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory
	Liu, Zhiling 1; Xie, Hua 1; Qin, Zhengbo 1; Cong, Ran 1; Wu, Xia 1; Tang, Zichao 1; Lu, Xin 2,3; He, Jian 4
刊名	journal of chemical physics
	2012-11-28
卷号	137 期号:20
英文摘要	photodetachment of platinum carbonyl anions pt(co)(n)(-) (n = 1, 3) had been previously investigated using traditional photoelectron spectroscopy (pes) [g.s. icking-konert, h. handschuh, g. gantefor, and w. eberhardt, phys. rev. lett. 76, 1047 (1996); b. chatterjee, f.a. akin, c.c. jarrold, and k. raghavachari, j. chem. phys. 119, 10591 (2003)]. here, we studied pt(co)(n)(-) (n = 1-3) using photoelectron velocity-map imaging method and extensive theoretical calculations. vibrationally resolved spectra from photoelectron imaging experiments allow determination of the electron affinities of pt(co)(n), which are 1.196 +/- 0.034, 0.930 +/- 0.042, and 1.253 +/- 0.032 ev for n = 1, 2, and 3, respectively. two vibrational progressions are resolved for the ground states of pt(co) and pt(co) 3, while only one is resolved for that of pt(co)(2). the frequencies are determined to be 2089 +/- 91 and 581 +/- 21 cm(-1) for pt(co), 2173 +/- 115 cm(-1) for pt(co)(2) and 2119 +/- 88 and 444 +/- 18 cm(-1) for pt(co)(3). results from density functional theory and ab initio calculations agreed well with the experimental observations. the spectra were well reproduced by franck-condon fitting on the basis of the optimized geometries and the theoretical frequencies. the well-resolved pes also provided valuable benchmarks for various density functionals (b3lyp, bp86, and pw91pw91) for the platinum carbonyls. (c) 2012 american institute of physics. [http://dx.doi.org/10.1063/1.4768004]
WOS标题词	science & technology ; physical sciences
类目[WOS]	physics, atomic, molecular & chemical
研究领域[WOS]	physics
关键词[WOS]	valence photoemission spectra ; collision-induced dissociation ; density-functional theory ; electronic-structures ; raman-spectroscopy ; binding-energies ; basis-sets ; co ; pd ; atoms
收录类别	SCI
语种	英语
WOS记录号	WOS:000312252100027
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/142977]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China 3.Xiamen Univ, Coll Chem & Chem Engn, Fujian Prov Key Lab Theoret & Computat Chem, Dept Chem, Xiamen 361005, Peoples R China 4.Xiamen Univ, Inst Phys & Mech & Elect Engn, Lab Anal Instrument, Xiamen 361005, Peoples R China
推荐引用方式 GB/T 7714	Liu, Zhiling,Xie, Hua,Qin, Zhengbo,et al. Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory[J]. journal of chemical physics,2012,137(20).
APA	Liu, Zhiling.,Xie, Hua.,Qin, Zhengbo.,Cong, Ran.,Wu, Xia.,...&He, Jian.(2012).Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory.journal of chemical physics,137(20).
MLA	Liu, Zhiling,et al."Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory".journal of chemical physics 137.20(2012).