Y. Nosenko, R.P. Thummel, A. Mordzinski.
"Vibrationally resolved electronic spectroscopy and theoretical studies of deuterated 2-(2-pyridyl)indole", Phys. Chem. Chem. Phys. 6 (2004), 363-367.

Laser induced fluorescence (LIF) and mass-selected (m/dm=430) resonance two-photon ionization (R2PI) methods were employed to study the effect of deuterium for hydrogen (D/H) substitution in 2-(2'-pyridyl)indole (PyIn-0). Under the experimental conditions applied two hydrogen atoms have been exchanged. We have detected and identified four different D/H isotopomers of PyIn-0. The most reactive site for D/H substitution in PyIn-0, other than N1H, was assigned to the pyrrole C3H. By a combination of density functional theory (DFT) and ab initio calculations the spectroscopic shifts have been reproduced in good agreement with the experiment. A ZPVE scaling factor of 0.9849 at the B3LYP/6-31G(d,p) level has been proposed.

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