Resonance Raman and density functional study of the A-band absorption of C5H5[WC equivalent to CPh]O-2
文献类型：期刊论文
| 作者 | Cheng, YF; Phillips, DL; He, GZ; Che, CM; Chi, Y |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2001-04-27 |
| 卷号 | 338期号:4-6页码:308-316 |
| 英文摘要 | resonance raman spectra including absolute raman cross-section measurements and density functional theory (dft) calculations were performed to study the a-band absorption of c5h5[wc equivalent to cph]o-2. the three most intense franck-condon active modes, the nominal w=o stretch, c=c stretch and c equivalent toc stretch, show noticeable intensity in their overtones as well as their combination bands with each other, this is consistent with the changes in the homo-lumo electron densities obtained from the dft calculations. this suggests that the excited-state experiences significant structural changes simultaneously in the w=o, c=c and c equivalent toc groups and the charge transfer is delocalized in the electronic transition. (c) 2001 elsevier science b,v. all rights reserved. |
| 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] | excited-state distortions ; mlct transition ; oxo complexes ; electron-transfer ; mmlct transition ; charge-transfer ; tungsten ; scattering ; intensities ; acetylene |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000168591800015 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138850]  |
| 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 | 1.Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian, Peoples R China 3.Natl Tsing Hua Univ, Dept Chem, Hsinchu 30043, Taiwan |
| 推荐引用方式 GB/T 7714 | Cheng, YF,Phillips, DL,He, GZ,et al. Resonance Raman and density functional study of the A-band absorption of C5H5[WC equivalent to CPh]O-2[J]. chemical physics letters,2001,338(4-6):308-316. |
| APA | Cheng, YF,Phillips, DL,He, GZ,Che, CM,&Chi, Y.(2001).Resonance Raman and density functional study of the A-band absorption of C5H5[WC equivalent to CPh]O-2.chemical physics letters,338(4-6),308-316. |
| MLA | Cheng, YF,et al."Resonance Raman and density functional study of the A-band absorption of C5H5[WC equivalent to CPh]O-2".chemical physics letters 338.4-6(2001):308-316. |
入库方式： OAI收割
来源：大连化学物理研究所
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