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- W2066687536 abstract "A new rhenium nitrosyl complex – [Re(NO)0.87Br2.13(PPh3)(PPh2py-P,N)] – has been obtained in the reaction of [ReBr3(NO)(PPh3)(OPPh3)] with diphenyl(2-pyridyl)phosphine (PPh2py). The compound has been studied by IR, UV–vis spectroscopy and X-ray crystallography. The molecular orbital diagram of [Re(NO)Br2(PPh3)(PPh2py-P,N)] has been calculated with the density functional theory (DFT) method. The spin-allowed singlet–singlet electronic transitions of [Re(NO)Br2(PPh3)(PPh2py-P,N)] have been calculated with the time-dependent DFT method, and the UV–vis spectrum of the [Re(NO)0.87Br2.13(PPh3)(PPh2py-P,N)] compound has been discussed on this basis." @default.
- W2066687536 created "2016-06-24" @default.
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- W2066687536 date "2007-06-01" @default.
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- W2066687536 title "Synthesis, crystal, molecular and electronic structure of the [Re(NO)0.87Br2.13(PPh3)(PPh2py-P,N)] complex and DFT calculations of [Re(NO)Br2(PPh3)(PPh2py- P,N)]" @default.
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- W2066687536 doi "https://doi.org/10.1016/j.molstruc.2006.10.007" @default.
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