Effects of hydrogen bond on 2-aminopyridine and its derivatives complexes in methanol solvent
文献类型：期刊论文
| 作者 | Zhao, Jinfeng1,2; Song, Peng1; Cui, Yanling1; Liu, Xuemei1; Sun, Shaowu1; Hou, Siyao1; Ma, Fengcai1 |
| 刊名 | spectrochimica acta part a-molecular and biomolecular spectroscopy
 |
| 出版日期 | 2014-10-15 |
| 卷号 | 131页码:282-287 |
| 关键词 | Frontier molecular orbitals Electronically excited state Infrared spectra Fluorescence spectrum Intermolecular hydrogen bond |
| 英文摘要 | in the present work, the time-dependent density functional theory (td-dft) method was adopted to investigate the excited state hydrogen-bond dynamics of 2-aminopyridine monomer (2ap) and its derivatives in hydrogen donating methanol solvent. the calculated steady-state absorption and fluorescence spectra agree well with the experimental results. theoretical results state that the bond lengths of both o-h and n-h bands are lengthened, while the intermolecular hydrogen bond lengths are shortened in the excited state. further, the intermolecular hydrogen bonds are proved to be strengthened according to the calculated binding energy. as a reasonable explanation, the hydrogen bonds binding energy increases with multiple hydrogen-bonding interactions in the electronically excited state. in addition, the hydrogen bonding dynamics in the excited state were visualized by the spectral shifts of vibrational modes. the calculated infrared spectra of both o-h and n-h stretching vibrational regions revealed that the o-h and n-h stretching bands red-shift. (c) 2014 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; technology |
| 类目[WOS] | spectroscopy |
| 研究领域[WOS] | spectroscopy |
| 关键词[WOS] | excited-state dynamics ; vibrational spectroscopy ; depletion spectroscopy ; anthranilic acid ; coumarin 102 ; clusters ; photochemistry ; phase ; water ; jet |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000338810400038 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/145908]  |
| 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.Liaoning Univ, Dept Chem & Phys, Shenyang 110036, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Jinfeng,Song, Peng,Cui, Yanling,et al. Effects of hydrogen bond on 2-aminopyridine and its derivatives complexes in methanol solvent[J]. spectrochimica acta part a-molecular and biomolecular spectroscopy,2014,131:282-287. |
| APA | Zhao, Jinfeng.,Song, Peng.,Cui, Yanling.,Liu, Xuemei.,Sun, Shaowu.,...&Ma, Fengcai.(2014).Effects of hydrogen bond on 2-aminopyridine and its derivatives complexes in methanol solvent.spectrochimica acta part a-molecular and biomolecular spectroscopy,131,282-287. |
| MLA | Zhao, Jinfeng,et al."Effects of hydrogen bond on 2-aminopyridine and its derivatives complexes in methanol solvent".spectrochimica acta part a-molecular and biomolecular spectroscopy 131(2014):282-287. |
入库方式： OAI收割
来源：大连化学物理研究所
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