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- W2155291504 abstract "Calculations were performed on [Ru(tpy)(bpy)(dmso)]2+ (tpy = 2,2′:6′,2′′-terpyridine; bpy = 2,2′-bipyridine, dmso = dimethylsulfoxide, 1), cis-[Ru(tpy)(Me-pic)(dmso)]+ (Me-pic = 6-methylpicolinate, 2), trans-[Ru(tpy)(Me-pic)(dmso)]+ (3), and trans-[Ru(tpy)(pic)(dmso)]+ (pic = picolinate, 4) to gain an understanding of the differences in their photoisomerization behavior. The results do not support a promoting role for the σ* ligand field (LF) states during excited-state S→O isomerization. Instead, the calculations show that the Ru−S bonding, the identity of the highest occupied molecular orbital, and steric interactions are important factors in dmso photoisomerization. Furthermore, the atom positioned trans to the S atom plays a critical role in promoting enhanced photoisomerizataion yields." @default.
- W2155291504 created "2016-06-24" @default.
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- W2155291504 date "2010-11-15" @default.
- W2155291504 modified "2023-09-25" @default.
- W2155291504 title "Electronic and Steric Effects on the Photoisomerization of Dimethylsulfoxide Complexes of Ru(II) Containing Picolinate" @default.
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- W2155291504 doi "https://doi.org/10.1021/jz1012966" @default.
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