Closed-shell molecules that ionize more readily than cesium

doi:10.1126/science.1078721

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	Closed-shell molecules that ionize more readily than cesium
	Cotton, FA ; Gruhn, NE ; Gu, JD; Huang, P ; Lichtenberger, DL ; Murillo, CA ; Van Dorn, LO ; Wilkinson, CC
刊名	SCIENCE
	2002-12-06
卷号	298 期号:5600 页码:1971-1974
ISSN号	0036-8075
DOI	10.1126/science.1078721
文献子类	Article
英文摘要	We report a class of molecules with extremely low ionization enthalpies, one member of which has been determined to have a gas-phase ionization energy (onset, 3.51 electron volts) lower than that of the cesium atom (which has the lowest gas-phase ionization energy of the elements) or of any other known closed-shell molecule or neutral transient species reported. The molecules are dimetal complexes with the general formula M-2(hpp)(4) (where M is Cr, Mo, or W, and hpp is the anion of 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine), structurally characterized in the solid state, spectroscopically characterized in the gas phase, and modeled with theoretical computations. The low-energy ionization of each molecule corresponds to the removal of an electron from the delta bonding orbital of the quadruple metal-metal bond, and a strong interaction of this orbital with a filled orbital on the hpp ligands largely accounts for the low ionization energies.
WOS关键词	PHOTOELECTRON-SPECTROSCOPY ; ELECTRONIC-STRUCTURE ; COMPLEXES
WOS研究方向	Science & Technology - Other Topics
语种	英语
出版者	AMER ASSOC ADVANCEMENT SCIENCE
WOS记录号	WOS:000179629200039
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/274297]
专题	新药研究国家重点实验室中科院受体结构与功能重点实验室
通讯作者	Cotton, FA
作者单位	1.Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA 2.Texas A&M Univ, Mol Struct & Bonding Lab, College Stn, TX 77842 USA 3.Univ Arizona, Dept Chem, Tucson, AZ 85721 USA 4.Univ Arizona, Lab Gas Phase Electron Spect, Tucson, AZ 85721 USA 5.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Design & Discovery Ct, Shanghai 200031, Peoples R China
推荐引用方式 GB/T 7714	Cotton, FA,Gruhn, NE,Gu, JD,et al. Closed-shell molecules that ionize more readily than cesium[J]. SCIENCE,2002,298(5600):1971-1974.
APA	Cotton, FA.,Gruhn, NE.,Gu, JD.,Huang, P.,Lichtenberger, DL.,...&Wilkinson, CC.(2002).Closed-shell molecules that ionize more readily than cesium.SCIENCE,298(5600),1971-1974.
MLA	Cotton, FA,et al."Closed-shell molecules that ionize more readily than cesium".SCIENCE 298.5600(2002):1971-1974.