Conformational Transferability of the Sulfenyl Carbonyl Group -SC(O)- in Cyclic Thioesters
文献类型：期刊论文
| 作者 | Dugarte, Nahir Y.1; Erben, Mauricio F.1; Hey-Hawkins, Evamarie2; Loennecke, Peter2; Stadlbauer, Sven2; Ge, Mao-Fa3; Li, Yao3; Piro, Oscar E.4,5; Echeverria, Gustavo A.4,5; Della Vedova, Carlos O.1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2013-07-11 |
| 卷号 | 117期号:27页码:5706-5714 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/jp4045308 |
| 英文摘要 | The molecular and crystal structure of two dithiolactones (formally dimers of epsilon-caprothiolactone and omega-hexadecathiolactone) have been determined by X-ray diffraction at low temperature, revealing that the thioester group is planar with a synperiplanar orientation of the C=O double bond with respect to the S-C single bond. This conformational behavior is in contrast to that found for the smaller cyclic members of this family, where the antiperiplanar conformation is enforced. It is hypothesized that strain effects play a major role for the energy balance in the conformational preference. In this context, the molecular, vibrational (infrared and Raman), and electronic properties of e-caprothiolactone have also been analyzed by using a combined experimental, including gas-phase helium I photoelectron spectroscopy, and computational approach. |
| 语种 | 英语 |
| WOS记录号 | WOS:000321884500017 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/42142]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Erben, Mauricio F. |
| 作者单位 | 1.Univ Nacl La Plata, Fac Ciencias Exactas, Dept Quim, CEQUINOR,UNLP CONICET,CCT La Plata, RA-1900 La Plata, Buenos Aires, Argentina 2.Univ Leipzig, Inst Anorgan Chem, D-04103 Leipzig, Germany 3.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China 4.Univ Nacl La Plata, Fac Ciencias Exactas, Dept Fis, RA-1900 La Plata, Buenos Aires, Argentina 5.Inst IFLP, CONICET UNLP, CCT La Plata, RA-1900 La Plata, Buenos Aires, Argentina |
| 推荐引用方式 GB/T 7714 | Dugarte, Nahir Y.,Erben, Mauricio F.,Hey-Hawkins, Evamarie,et al. Conformational Transferability of the Sulfenyl Carbonyl Group -SC(O)- in Cyclic Thioesters[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2013,117(27):5706-5714. |
| APA | Dugarte, Nahir Y..,Erben, Mauricio F..,Hey-Hawkins, Evamarie.,Loennecke, Peter.,Stadlbauer, Sven.,...&Della Vedova, Carlos O..(2013).Conformational Transferability of the Sulfenyl Carbonyl Group -SC(O)- in Cyclic Thioesters.JOURNAL OF PHYSICAL CHEMISTRY A,117(27),5706-5714. |
| MLA | Dugarte, Nahir Y.,et al."Conformational Transferability of the Sulfenyl Carbonyl Group -SC(O)- in Cyclic Thioesters".JOURNAL OF PHYSICAL CHEMISTRY A 117.27(2013):5706-5714. |
入库方式： OAI收割
来源：化学研究所
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