High resolution optothermal spectroscopy of pyridine in the S1 state

Abstract

High resolution study of spin-orbit mixing and the singlet-triplet gap in chlorocarbene: Stimulated emission pumping spectroscopy of CH 35 Cl and CD 35 Cl Electronic states of linear polyenes: High resolution spectroscopy of cis-and trans-1,3,5,7,9-decapentaene J. Chem. Phys. 108, 9586 (1998); 10.1063/1.476407 Solvation dynamics and electronic structure development of coumarin 120 in methanol: A theoretical modeling studyThe optothermal technique has been utilized to obtain the first high resolution spectrum of pyridine in the region of the S 1 ←S 0 electronic transition. Rotational profiles for several vibronic bands (0 0 0 ,6a 0 1 ,16b 0 2 6a 0 1 ,6a 0 2 ,12 0 1 ) were measured and found to be severely homogeneously broadened with linewidths of the order of 3-5 GHz, in agreement with previous lifetime measurements. Rotational constants of pyridine in the excited S 1 vibronic levels were extracted by a band contour analysis. The values obtained are in good agreement with results from ab initio calculations, also presented here.

Mass-analyzed threshold ionization spectroscopy of pyridine. Structural distortion in the first excited state

“…Obviously, the calculated frequencies of the ground state are in good agreement with the experimental values recorded by Becucci et al 33 This guarantees that the basis set used and the resulting molecular geometry can serve as a reference for the calculations of the first excited and the ionic ground state.…”

Asymmetric structure for the excited S1 state of 2,2′‐bipyridine evidenced by picosecond time‐resolved resonance raman experiments and ab initio calculation

“…The same situation was encountered for the S 1 n π* state of 44BPY for which an asymmetric structure with an out‐of‐plane distortion of one pyridyl ring was found 9. Such a distortion of the lowest 1 n π* state has been often discussed in the literature for the pyridine molecule without any clear conclusion 22–24.…”

Electronic Spectra of Hydrogen-Bonded 2-Fluoropyridine Clusters with Water in a Supersonic Free Jet

“…Therefore, if 2-FP has no another relaxation process such as photochemical reaction from vibronic level in the exited state, it is concluded that the main reason for the quantum yield decrease in the excited state is attributed to the relaxation to the ground state as the case of the S 1 (n,π*) state in pyridine. 3 3B. Electronic Spectra of 2-Fluoropyridine)Water Clusters.…”