| 查看: 905 | 回复: 4 | |||
yangchaotom金虫 (著名写手)
|
[交流]
一小段文字，求中文翻译。也算交流吧（我自己翻译的总感觉不地道） 已有2人参与
|
|
Computational Investigation of the Competition between the Concerted Diels–Alder Reaction and Formation of Diradicals in Reactions of Acrylonitrile with Nonpolar Dienes The energetics of the Diels–Alder cycloaddition reactions of several 1,3-dienes with acrylonitrile, and the energetics of formation of diradicals, were investigated with density functional theory (B3LYP and M06–2X) and compared to experimental data (Hall et al., J. Org. Chem.1993, 58, 7049–7058). For the reaction of 2,3-dimethyl-1,3-butadiene with acrylonitrile, the concerted reaction is favored over the diradical pathway by 2.5 kcal/mol using B3LYP/6-31G(d); experimentally, this reaction gives both cycloadduct and copolymer. The concerted cycloaddition of cyclopentadiene with acrylonitrile is preferred computationally over the stepwise pathway by 5.9 kcal/mol; experimentally, only the Diels–Alder adduct is formed. For the reactions of (E)-1,3-pentadiene and acrylonitrile, both cycloaddition and copolymerization were observed experimentally; these trends were mimicked by the computational results, which showed only a 1.2 kcal/mol preference for the concerted pathway. For the reactions of (Z)-1,3-pentadiene and acrylonitrile, the stepwise pathway is preferred by 3.9 kcal/mol, in agreement with previous experimental findings that only polymerization occurs. M06–2X is known to give more accurate activation and reaction energetics (Pieniazek, et al., Angew. Chem. Int.2008, 47, 7746–7749), but the energies of diradicals are too high. |
回复此楼» 猜你喜欢
不自信的我
已经有11人回复
-
北核录用
已经有3人回复
-
要不要辞职读博？
已经有6人回复
-
实验室接单子
已经有3人回复
-
磺酰氟产物，毕不了业了！
已经有8人回复
-
求助:我三月中下旬出站，青基依托单位怎么办？
已经有10人回复
-
26申博（荧光探针方向，有机合成）
已经有4人回复
-
论文终于录用啦！满足毕业条件了
已经有26人回复
-
2026年机械制造与材料应用国际会议 （ICMMMA 2026）
已经有4人回复
-
Cas 72-43-5需要30g，定制合成，能接单的留言
已经有8人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 帮忙翻译一小段话
已经有3人回复
- r日语一小段翻译求助
已经有4人回复
- 有看得懂德文文献的大神吗？帮忙翻译一小段呀
已经有7人回复
- 德语文献一小段翻译
已经有1人回复
- 日文翻译（一小段）
已经有3人回复
- 求翻译一小段韩语 韩语——中文
已经有7人回复
- 求翻译一小段日语
已经有2人回复
- 一小段文字不甚理解
已经有14人回复
- 翻译一小段修改稿上传要求
已经有6人回复
- 新虫求解文献里的一小段英文，求高手翻译．．．
已经有12人回复
- 有一小段关于化合物合成的日本专利，求大牛翻译一下
已经有4人回复
yangchaotom
金虫 (著名写手)
- 应助: 10 (幼儿园)
- 金币: 1783.1
- 散金: 10
- 红花: 10
- 沙发: 3
- 帖子: 2137
- 在线: 236小时
- 虫号: 1688016
- 注册: 2012-03-13
- 专业: 有机合成
|
Natalie C. James †, Joann M. Um †, Anne B. Padias ‡, H. K. Hall , Jr.‡, and K. N. Houk *† † Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States ‡ Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, United States J. Org. Chem., Article ASAP DOI: 10.1021/jo400900x Publication Date (Web): June 11, 2013 Copyright © 2013 American Chemical Society *E-mail: houk@chem.ucla.edu. 谁在学校帮我下载下全文吧，在家没数据库啊 |
2楼2013-06-24 22:33:53
zhtear99
铁杆木虫 (著名写手)
- SFL-EPI: 1
- 应助: 147 (高中生)
- 贵宾: 0.662
- 金币: 3343.9
- 散金: 5190
- 红花: 53
- 沙发: 4
- 帖子: 1869
- 在线: 714.6小时
- 虫号: 1001108
- 注册: 2010-04-19
- 性别: MM
- 专业: 生物大分子结构与功能
3楼2013-06-25 09:36:00
zhtear99
铁杆木虫 (著名写手)
- SFL-EPI: 1
- 应助: 147 (高中生)
- 贵宾: 0.662
- 金币: 3343.9
- 散金: 5190
- 红花: 53
- 沙发: 4
- 帖子: 1869
- 在线: 714.6小时
- 虫号: 1001108
- 注册: 2010-04-19
- 性别: MM
- 专业: 生物大分子结构与功能
4楼2013-06-25 09:37:26
5楼2013-07-04 10:44:15