Experimental and theoretical studies on carbon-nitrogen clusters C2nN7-
文献类型：期刊论文
| 作者 | Sun, ST; Cao, YL; Sun, Z; Tang, ZC |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。