Photo- and Thermal Isomerization of (TP)Fe(CO)Cl2 [TP = Bis(2-diphenylphosphinophenyl)phenylphosphine]
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https://figshare.com/articles/dataset/Photo_and_Thermal_Isomerization_of_TP_Fe_CO_Cl_sub_2_sub_TP_Bis_2_diphenylphosphinophenyl_phenylphosphine_/2118325
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The title complex displayed structural flexibility via photo- and thermal-isomerization reactions between three isomers: (mer-TP)Fe(CO)Cl2 (A), unsym-(fac-TP)Fe(CO)Cl2 (B), and sym-(fac-TP)Fe(CO)Cl2 (C). Irradiation of A at RT with 525 nm light selectively produces B, while at 0 °C isomer C is formed with the intermediacy of B. UV–vis spectroscopy combined with TD-DFT calculations revealed the nature of the photoisomerization process. Kinetics of the thermal isomerization of C to B and B to A have been studied with 31P NMR spectroscopy in CD2Cl2, and activation parameters were determined. Isomers A and B have been isolated and crystallographically characterized.
创建时间：
2016-02-12
