Role of the intermolecular vibrations in the hydrogen transfer rate: the 3-methylindole-NH3 complex.
The lifetimes of the 3-methylindole-NH3 complex have been measured on different vibronic levels involving intermolecular modes and decrease from 530 to 65 ps, in a mode specific manner. Geometry optimizations of the ground and excited states have been performed with ab initio methods, and as in the case of phenol and indole, a repulsive pi sigma* state lies close to the initially excited pi pi* state. From these calculations, it seems that both in-plane and out-of-plane vibrations induce a faster nonradiative decay.
David
Olivier
O
Laboratoire de Photophysique Moléculaire du CNRS, Bât. 210, Université Paris-Sud, 91405 Orsay, France.
Dedonder-Lardeux
Claude
C
Jouvet
Christophe
C
Sobolewski
Andrzej L
AL
D006859:Hydrogen / Q000737:chemistry*; D008968:Molecular Conformation; D000644:Quaternary Ammonium Compounds / Q000737:chemistry* / Q000378:metabolism; D012862:Skatole / Q000737:chemistry* / Q000378:metabolism; D014732:Vibration
D000644:Quaternary Ammonium Compounds; D006859:Hydrogen; D012862:Skatole