Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts
文献类型：期刊论文
| 作者 | Liu, Xiaogang1; Xu, Zhaochao2; Cole, Jacqueline M.1,3,4 |
| 刊名 | journal of physical chemistry c
 |
| 出版日期 | 2013-08-15 |
| 卷号 | 117期号:32页码:16584-16595 |
| ISSN号 | 1932-7447 |
| 产权排序 | 待补充 |
| 通讯作者 | 徐兆超 ; jacqueline m. cole |
| 合作状况 | 英 |
| 英文摘要 | understanding the molecular origins of the optoelectronic properties of fluorophores provides rational guidelines for chemists to synthesize better-performing dyes. factors affecting the uv-vis absorption spectral shift, molar extinction coefficients, and stokes shift of fluorophores are herein examined at the molecular level, via both (time-dependent) density functional theory-based calculations and the empirical harmonic-oscillator-stabilization-energy (hose) and bond-length-alternation (bla) models. the importance of these factors is discussed using six coumarin dyes as exemplars. in particular, a special focus is devoted to the stokes shift, a critical parameter in fluorophores. it is demonstrated that incorporating a "rotational" substituent in a fluorophore molecule with tailored steric hindrance effects and resonance effects leads to a substantial increase in the stokes shift, not only in coumarins but also in other chemical dye families: boron-dipyrromethenes (bodipys), cyanines, and stilbenes. structure-property relationships concerning the rotational substituent are discussed in detail with examples of several dye families. these findings lead to the proposal of molecular design criteria that enable one to tune the stokes shift. such criteria provide a foundation for the molecular engineering of fluorophores with improved optoelectronic properties. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary |
| 研究领域[WOS] | chemistry ; science & technology - other topics ; materials science |
| 关键词[WOS] | intramolecular charge-transfer ; bond-length alternation ; excited-states ; fluorescent-probes ; coumarin dyes ; optoelectronic properties ; combinatorial chemistry ; electronic-transitions ; core skeleton ; bodipy dyes |
| 收录类别 | SCI |
| 资助信息 | 2，2 |
| 原文出处 | 16595 |
| 语种 | 英语 |
| WOS记录号 | WOS:000323301100035 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119392]  |
| 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 Cambridge, Cavendish Lab, Dept Phys, Cambridge CB3 0HE, England 2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Univ New Brunswick, Dept Chem, Fredericton, NB E3B 5A3, Canada 4.Univ New Brunswick, Dept Phys, Fredericton, NB E3B 5A3, Canada |
| 推荐引用方式 GB/T 7714 | Liu, Xiaogang,Xu, Zhaochao,Cole, Jacqueline M.. Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts[J]. journal of physical chemistry c,2013,117(32):16584-16595. |
| APA | Liu, Xiaogang,Xu, Zhaochao,&Cole, Jacqueline M..(2013).Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts.journal of physical chemistry c,117(32),16584-16595. |
| MLA | Liu, Xiaogang,et al."Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts".journal of physical chemistry c 117.32(2013):16584-16595. |
入库方式： OAI收割
来源：大连化学物理研究所
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