Reaction of (COCl)(2) with AgN3: Evidence for the formation of oxalyl diazide O2C2(N-3)(2)

doi:10.1246/bcsj.78.1246

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	Reaction of (COCl)(2) with AgN3: Evidence for the formation of oxalyl diazide O2C2(N-3)(2)
	Liu, FY ; Zeng, XQ ; Sun, Q ; Meng, LP ; Zheng, SJ ; Ai, XC ; Zhang, JP ; Ge, MF ; Wang, DX
刊名	BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
	2005-07-15
卷号	78 期号:7 页码:1246-1250
ISSN号	0009-2673
DOI	10.1246/bcsj.78.1246
英文摘要	Oxalyl diazide O2C2(N-3)(2) has been generated in the heterogeneous reaction of (COCl)(2) vapor with AgN3 at room temperature. Evidence for the formation of O2C2(N-3)(2) is based on on-line photoelectron spectroscopy (PES) characterization combined with the density functional B3LYP and outer valence Green's function (OVGF) calculations. The good agreement between the experimental spectra and theoretical calculation shows that O2C2(N-3)(2) has adiabatic ionization energy of 10.11 eV. Our results also suggest that O2C2(N-3)(2) has high conformational flexibilities and that the planar conformers are energy-favorable in gas phase.
语种	英语
出版者	CHEMICAL SOC JAPAN
WOS记录号	WOS:000230949300008
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/57727]
专题	中国科学院化学研究所
通讯作者	Wang, DX
作者单位	1.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China 2.Hebei Normal Univ, Open Lab Computat Quantum Chem, Shijiazhuang 050091, Peoples R China 3.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
推荐引用方式 GB/T 7714	Liu, FY,Zeng, XQ,Sun, Q,et al. Reaction of (COCl)(2) with AgN3: Evidence for the formation of oxalyl diazide O2C2(N-3)(2)[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,2005,78(7):1246-1250.
APA	Liu, FY.,Zeng, XQ.,Sun, Q.,Meng, LP.,Zheng, SJ.,...&Wang, DX.(2005).Reaction of (COCl)(2) with AgN3: Evidence for the formation of oxalyl diazide O2C2(N-3)(2).BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN,78(7),1246-1250.
MLA	Liu, FY,et al."Reaction of (COCl)(2) with AgN3: Evidence for the formation of oxalyl diazide O2C2(N-3)(2)".BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78.7(2005):1246-1250.