Near- and Deep-Ultraviolet Resonance Raman Spectroscopy of Pyrazine-Al-4 Complex and Al-3-Pyrazine-Al-3 Junction
Near- and Deep-Ultraviolet Resonance Raman Spectroscopy of Pyrazine-Al-4 Complex and Al-3-Pyrazine-Al-3 Junction
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吡嗪-Al-4 络合物和 Al-3-吡嗪-Al-3 结的近紫外和深紫外共振拉曼光谱
DOI：
10.1021/jp908107u
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发表时间：
2009-10
影响因子：
3.7
通讯作者：
Zhang, Shunping
中科院分区：
文献类型：
--
作者：
Fang, Yurui;Wu, Deyin;Sun, Mengtao;Yang, Zhilin;Xu, Hongxing;Dong, Bin;Zhang, Shunping
采用量子化学方法对吡嗪-Al-4配合物和Al-3-吡嗪-Al-3结的近紫外和深紫外共振拉曼光谱进行了理论研究。这里，在我们的理论研究中，325 nm 和 244 nm 被用作近紫外和深紫外源。通过静态化学机制，吡嗪-Al-4 络合物和 Al-3-吡嗪-Al-3 结的静态正常拉曼光谱强度分别增强到 10 和 10(3) 量级。计算的吸收光谱显示，在 325 nm 附近有强 B-6(2) 和 B-13(2u) 电子跃迁。吡嗪-Al-4 复合物和 Al-3-吡嗪-Al-3 连接处分别为 244 nm。对电子跃迁中轨道跃迁的分析表明，它们是（金属到分子）电荷转移激发和簇内激发的混合体。与在 325 和 244 nm 激发的孤立吡嗪的拉曼强度相比，吡嗪-Al-4 配合物的近紫外共振拉曼光谱强度和 Al-3-吡嗪-Al-3 结的深紫外共振拉曼光谱强度分别强烈增强了 10(5) 和 10(4) 量级。 Mic理论和三维时域有限差分法的计算表明，在适当尺寸和间隙距离下，单聚体和二聚体纳米颗粒分别在325 nm和244 nm处具有强表面等离子体共振和强电磁增强。在 325 和 244 nm 的入射光下，结系统中最强的 SERS 增强约为 10(8) 量级。总的增强，包括化学和电磁增强，可以达到Lip至10(13)。因此，Al是近紫外和深紫外表面增强共振拉曼散射的合适材料
Near- and deep-ultraviolet (UV) resonance Raman spectroscopy of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction was investigated theoretically with a quantum chemical method. Here, 325 and 244 nm were employed as near- and deep-UV sources in our theoretical study The intensities of static normal Raman spectra of pyrazine-Al-4 complex and Al-3-pyrazine-Al-3 junction were enhanced oil the orders of 10 and 10(3) by a static chemical mechanism, respectively The calculated absorption spectra reveal strong B-6(2) and B-13(2u) electronic transitions near 325 nm for pyrazine-Al-4 complex and 244 nm for Al-3-pyrazine-Al-3 junction, respectively. The analyses of orbital transitions in electronic transitions reveal they are the mixture of (metal to molecule) charge transfer excitation and intracluster excitation. The intensity of near-UV resonance Raman spectroscopy of pyrazine-Al-4 complex and the intensity of deep-UV resonance Raman spectroscopy of Al-3-pyrazine-Al-3 junction are strongly enhanced on the order of 10(5) and 10(4), respectively, compared to the Raman intensity of isolated pyrazine excited at 325 and 244 nm. The calculations of Mic theory and the three-dimensional finite-difference time domain method reveal strong surface plasmon resonance and strong electromagnetic enhancements at 325 and 244 nm for single and dimer nanoparticles at suitable sizes and gap distance, respectively. The strongest SERS enhancement in the system of junction is on the order of 10(8) at the incident lights of 325 and 244 nm. The total enhancements, including the chemical and electromagnetic enhancements, can reach Lip to 10(13). So, Al is a suitable material for near- and deep-UV surface-enhanced resonance Raman scattering
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DOI：
10.1007/3-540-33567-6_7
发表时间：
2006
期刊：
--
影响因子：
--
作者：
Zhongbiao Tian;Zhilin Yang;B. Ren;De‐Yin Wu
通讯作者：
Zhongbiao Tian;Zhilin Yang;B. Ren;De‐Yin Wu
DOI：
10.1016/c2009-0-20920-2
发表时间：
1985
期刊：
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影响因子：
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作者：
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通讯作者：
D. Lynch;W. Hunter
DOI：
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发表时间：
1991
期刊：
--
影响因子：
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作者：
E. Gross;R. Dreizler;Gross E.K.U.
通讯作者：
E. Gross;R. Dreizler;Gross E.K.U.
DOI：
10.1201/9780203736708
发表时间：
1993-07
期刊：
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影响因子：
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作者：
K. Kunz;R. Luebbers
通讯作者：
K. Kunz;R. Luebbers