Superhalogen properties of BS2- and BSO-: photoelectron spectroscopy and theoretical calculations

doi:10.1039/c5cp07673k

	Superhalogen properties of BS2- and BSO-: photoelectron spectroscopy and theoretical calculations
	Zhao, Li-Juan; Xu, Hong-Guang; Feng, Gang; Wang, Peng; Xu, Xi-Ling; Zheng, Wei-Jun
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2016-02-28
卷号	18 期号:8 页码:6175-6181
ISSN号	1463-9076
DOI	10.1039/c5cp07673k
文献子类	Article
英文摘要	We investigate BS2- and BSO- clusters using photoelectron spectroscopy and theoretical calculations. The electron affinities of BS2 and BSO are measured to be 3.80 +/- 0.03 and 3.88 +/- 0.03 eV, respectively, higher than those of halogen atoms. Thus, BS2 and BSO can be considered as superhalogens. The comparison of experimental and theoretical results confirmed that the ground state structures of BS2-, BSO-, and their neutrals are all linear. Analyses of natural bond orbitals suggest that both BS2- and BSO- have dual 3c-4e pi hyperbonds.
WOS关键词	DENSITY-FUNCTIONAL CALCULATIONS ; LASER-EXCITED FLUORESCENCE ; ELECTRON PROPAGATOR THEORY ; DYE-LASER ; IONIZATION-POTENTIALS ; ABSORPTION-SPECTRA ; BUILDING-BLOCKS ; RENNER-TELLER ; SOLID ARGON ; SPIN-ORBIT
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000371953000053
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/171094]
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
通讯作者	Xu, Xi-Ling; Zheng, Wei-Jun
作者单位	Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Li-Juan,Xu, Hong-Guang,Feng, Gang,et al. Superhalogen properties of BS2- and BSO-: photoelectron spectroscopy and theoretical calculations[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(8):6175-6181.
APA	Zhao, Li-Juan,Xu, Hong-Guang,Feng, Gang,Wang, Peng,Xu, Xi-Ling,&Zheng, Wei-Jun.(2016).Superhalogen properties of BS2- and BSO-: photoelectron spectroscopy and theoretical calculations.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(8),6175-6181.
MLA	Zhao, Li-Juan,et al."Superhalogen properties of BS2- and BSO-: photoelectron spectroscopy and theoretical calculations".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.8(2016):6175-6181.