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[求助]
将下面一段中文翻译为英语
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两种BODIPY荧光染料的光谱理论研究 摘要：采用梯度校正的密度泛函理论方法，计算了BODIPY-A、 BODIPY-B的红外光谱(IR)、电子吸收光谱(UV-vis)。并与实验值比较，证实了BODIPY A、BODIPY B的在红外光谱中出现三个比较明显的尖峰，出现了共同的尖峰ν7，红外光谱中频率（ν）的数值从上到下都是逐渐增大的，BODIPY A中的ν6与BODIPY B的ν7数值相差较接近，对应的吸收峰的归属均为C-H面内弯曲振动，BODIPY A中的ν7、ν10分别与BODIPY B的ν8、ν10的数值比较接近，BODIPY A中的ν7（1533.69 cm–1）与BODIPY B的ν8（1533.98 cm–1）其主要原因是吸收强度比较接近及对应峰的吸收归属为C=C伸缩振动，并分析了BODIPY A、BODIPY B电子吸收光谱(UV-vis)的特征，紫外光谱中具有三个能区吸收带、电子跃迁方式包括(HUMO-LUMO、HUMO-1-LUMO、HUMO-LUMO+3)，其中三个吸收带中的波长（λ）从上到下都是逐渐减小的，对应的强度（f）逐渐减小，谱线发生蓝移与对应的实验值相吻合。 |
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2楼2012-05-12 10:44:19
【答案】应助回帖
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爱与雨下: 金币+1 2012-05-14 21:17:13
爱与雨下: 金币+1 2012-05-14 21:17:13
| Abstract: The gradient - corrected density functional theory method , calculate the BODIPY - A , B BODIPY - infrared spectroscopy (IR), electronic absorption spectroscopy ( UV - vis) . And compared with experimental values , confirming the BODIPY A and BODIPY B, in the infrared spectra of the three obvious peak , there has been a common peak ν7 infrared spectrum frequency ( ν ) values from top to bottom are gradually increasing , the ν6 BODIPY A and the BODIPY B ν7 numerical difference between the closer, the corresponding absorption peaks attributable to both the CH in-plane bending vibration the BODIPY A, in the ν7, ν10 with BODIPY B ν8 , ν10 numerical comparison close to , the the the BODIPY A ν7 ( 1533.69 cm - 1) and the the BODIPY B ν8 ( 1533.98 cm -1 ) mainly due to the absorption intensity approach and the corresponding peak absorption attributed to the C = C stretching vibration.And analyzed the characteristics of the BODIPY A, BODIPY B, electronic absorption spectroscopy ( UV -vis ) , UV spectra with three absorption band, the electronic transition , including ( HUMO -LUMO HUMO -1 -LUMO HUMO -LUMO +3 ), of which three absorption band wavelength (λ) from top to bottom are gradually reduced, the corresponding strength ( f ) gradually decreases , spectral blue shift is consistent with the corresponding experimental values |
3楼2012-05-14 01:07:50
