中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-
作者: Sun, ST;  Cao, YL;  Sun, Z;  Tang, ZC
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2006-07-06
DOI: 10.1021/jp057590d
卷: 110, 期:26, 页:8064-8072
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
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.
关键词[WOS]: COLLISION-INDUCED DISSOCIATION ;  DENSITY-FUNCTIONAL THEORY ;  SULFUR CARBIDE CLUSTERS ;  AB-INITIO ;  LASER VAPORIZATION ;  DOPED FULLERENES ;  ENERGIES ;  NITRIDE ;  C-60 ;  HETEROFULLERENE
语种: 英语
WOS记录号: WOS:000238645600012
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140382
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Sun, ST]'s Articles
 [Cao, YL]'s Articles
 [Sun, Z]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Sun, ST]‘s Articles
 [Cao, YL]‘s Articles
 [Sun, Z]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace