Effects of resonance energy and nonplanar strain energy on the reliability of hyperhomodesmotic reactions for corannulene
文献类型：期刊论文
| 作者 | C. H. Sun ; D. Yao ; G. Q. Lu ; H. M. Cheng |
| 刊名 | Chemical Physics Letters
 |
| 出版日期 | 2007 |
| 卷号 | 434期号:1-3页码:160-164 |
| 关键词 | polycyclic aromatic-hydrocarbons fullerenes thermochemistry benzene heats |
| ISSN号 | 0009-2614 |
| 中文摘要 | The standard heat of formation (Delta H-f degrees) of corannulene (C20H10) is calculated based on 40 hyperhomodesmotic reactions and compared with the existing experimental result. We found that: (1) the reliability of hyperhomodesmotic reactions depends on the construction scheme and the reference molecules; (2) both resonance energy and nonplanar strain energy should be considered during the construction of hyperhomodesmotic reactions. Two principles are proposed for the selection of reference molecules: (i) structurally similar to the object molecule; (ii) simple and small. Due to structural similarity, the above knowledge obtained from C20H10 is of great reference for polycyclic aromatic hydrocarbons and fullerenes. (c) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33820]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | C. H. Sun,D. Yao,G. Q. Lu,et al. Effects of resonance energy and nonplanar strain energy on the reliability of hyperhomodesmotic reactions for corannulene[J]. Chemical Physics Letters,2007,434(1-3):160-164. |
| APA | C. H. Sun,D. Yao,G. Q. Lu,&H. M. Cheng.(2007).Effects of resonance energy and nonplanar strain energy on the reliability of hyperhomodesmotic reactions for corannulene.Chemical Physics Letters,434(1-3),160-164. |
| MLA | C. H. Sun,et al."Effects of resonance energy and nonplanar strain energy on the reliability of hyperhomodesmotic reactions for corannulene".Chemical Physics Letters 434.1-3(2007):160-164. |
入库方式： OAI收割
来源：金属研究所
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。