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Title
Japanese:Conformer-selective Photodynamics of TrpH+-H2O 
English:Conformer-selective photodynamics of TrpH+-H2O 
Author
Japanese: Franco Molina, Jordan Dezalay, Jun-ichi Tabata, Satchin Soorkia, Michel Broquier, 平田 圭祐, 石内 俊一, 藤井 正明, Gilles Grégoire.  
English: Franco Molina, Jordan Dezalay, Jun-ichi Tabata, Satchin Soorkia, Michel Broquier, Keisuke Hirata, Shun-ichi Ishiuchi, Masaaki Fujii, Gilles Grégoire.  
Language English 
Journal/Book name
Japanese:ChemPhysChem 
English:ChemPhysChem 
Volume, Number, Page Vol. 24    No. 2    pp. e202200561
Published date Sept. 2022 
Publisher
Japanese:John Wiley & Sons, Ltd 
English:John Wiley & Sons, Ltd 
Conference name
Japanese: 
English: 
Conference site
Japanese: 
English: 
Official URL https://doi.org/10.1002/cphc.202200561
 
DOI https://doi.org/10.1002/cphc.202200561
Abstract Abstract The photodynamics of protonated tryptophan and its mono hydrated complex TrpH+?H2O has been revisited. A combination of steady-state IR and UV cryogenic ion spectroscopies with picosecond pump-probe photodissociation experiments sheds new lights on the deactivation processes of TrpH+ and conformer-selected TrpH+?H2O complex, supported by quantum chemistry calculations at the DFT and coupled-cluster levels for the ground and excited states, respectively. TrpH+ excited at the band origin exhibits a transient of less than 100?ps, assigned to the lifetime of the excited state proton transfer (ESPT) structure. The two experimentally observed conformers of TrpH+?H2O have been assigned. A striking result arises from the conformer-selective photodynamics of TrpH+?H2O, in which a single water molecule inserted in between the ammonium and the indole ring hinders the barrierless ESPT reaction responsible for the ultra-fast deactivation process observed in the other conformer and in bare TrpH+.

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