Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-

	Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-
	Sun, ST; Cao, YL; Sun, Z; Tang, ZC
刊名	journal of physical chemistry a
	2006-07-06
卷号	110 期号:26 页码:8064-8072
英文摘要	c(2)nn(7)(-) cluster ions are produced by laser ablating on the k-3[fe(cn)(6)] sample. dft calculations have been performed for these cluster anions. various isomeric structures of these clusters are optimized and their energies are compared to find the most stable isomers. the most stable structure for c8n7- is similar to that of adenine by theoretical calculation, which is in agreement with the collision-induced dissociation ( cid) experimental results. with the increasing even numbers of c atoms from 8 to 16, the n atoms in the double-ring structure are gradually substituted by c atoms from the six-membered ring to the five-membered ring. all these c(2)nn(7)(-) (n = 3-9) clusters exhibit planar aromatic characters. the energy difference and incremental binding energy analyses show that c(2)nn(7)(-) (n = 4-8) clusters are more stable than c6n7- and c18n7-, which are consistent with the observed mass spectrum.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical ; physics, atomic, molecular & chemical
研究领域[WOS]	chemistry ; physics
关键词[WOS]	collision-induced dissociation ; density-functional theory ; sulfur carbide clusters ; ab-initio ; laser vaporization ; doped fullerenes ; energies ; nitride ; c-60 ; heterofullerene
收录类别	SCI
语种	英语
WOS记录号	WOS:000238645600012
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/140382]
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	Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Sun, ST,Cao, YL,Sun, Z,et al. Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-[J]. journal of physical chemistry a,2006,110(26):8064-8072.
APA	Sun, ST,Cao, YL,Sun, Z,&Tang, ZC.(2006).Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-.journal of physical chemistry a,110(26),8064-8072.
MLA	Sun, ST,et al."Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-".journal of physical chemistry a 110.26(2006):8064-8072.