Resonance Raman and emission investigation MLCT transition in Pt(PEt3)2(CCH)2
Resonance Raman and emission investigation MLCT transition in Pt(PEt3)2(CCH)2
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DOI：
10.1021/om000135d
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发表时间：
2000-08-07
期刊：
影响因子：
2.8
通讯作者：
Yam, VWW
中科院分区：
文献类型：
--
作者：
Choi, CL;Cheng, YF;Yam, VWW
用[Pt（PEt3）（2）（C= CH）（2）]的MLCT吸收带内的激发波长获得包括绝对拉曼截面测量的共振拉曼光谱。吸收和共振拉曼截面同时建模与时间相关的波包计算给出的振动重组能和初始结构变化的激发态的估计。我们比较了我们的结果[Pt（PEt3）（2）（C=CH）（2）]，其中不含苯基，与以前的结果[Pt（dppm）（2）（PhC=C）（2）]，其中包含一些苯基。主要的标称C=C伸缩反应坐标和振动重组能显着改变在初始激发态的芳香取代基的存在或不存在，我们半定量地估计这些变化。
Resonance Raman spectra including absolute Raman cross section measurements were acquired with excitation wavelengths within the MLCT absorption band of [Pt(PEt3)(2)(C= CH)(2)]. The absorption and resonance Raman cross sections were simultaneously modeled with time-dependent wave packet calculations to give an estimate of the vibrational reorganizational energies and initial structural changes of the excited state. We compare our results for [Pt(PEt3)(2)(C=CH)(2)], which contains no phenyl groups, with previous results for [Pt(dppm)(2)(PhC=C)(2)], which contains a number of phenyl groups. The predominant nominal C=C stretch reaction coordinate and the vibrational reorganizational energies are significantly altered in the initial excited state by the absence or presence of the aromatic substituents, and we semiquantitatively estimate these changes.