Ultrafast Spectroscopy and Computational Study of the Photochemistry of Diphenylphosphoryl Azide: Direct Spectroscopic Observation of a Singlet Phosphorylnitrene

…, S Muthukrishnan, J Kubicki, RD McCulla…

Index: Vyas, Shubham; Muthukrishnan, Sivaramakrishnan; Kubicki, Jacek; McCulla, Ryan D.; Burdzinski, Gotard; Sliwa, Michel; Platz, Matthew S.; Hadad, Christopher M. Journal of the American Chemical Society, 2010 , vol. 132, # 47 p. 16796 - 16804

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Citation Number: 13

Abstract

The photochemistry of diphenylphosphoryl azide was studied by femtosecond transient absorption spectroscopy, by chemical analysis of light-induced reaction products, and by RI- CC2/TZVP and TD-B3LYP/TZVP computational methods. Theoretical methods predicted two possible mechanisms for singlet diphenylphosphorylnitrene formation from the photoexcited phosphoryl azide.(i) Energy transfer from the (π, π*) singlet excited state, localized on a ...