The last few years have seen a surge in interest (both theoretical and experimental) in the photochemistry of heteroaromatic molecules (eg azoles, phenols), which has served to …
High-resolution measurements of the kinetic energies of hydrogen atom fragments formed during ultraviolet photolysis of imidazole, pyrrole, and phenol in the gas phase confirm that …
C Xie, J Ma, X Zhu, DR Yarkony, D Xie… - Journal of the American …, 2016 - ACS Publications
Using recently developed full-dimensional coupled quasi-diabatic ab initio potential energy surfaces including four electronic (1ππ, 1ππ*, 11πσ*, and 21πσ*) states, the tunneling …
H Guo, DR Yarkony - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs) together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces …
MGD Nix, AL Devine, B Cronin, RN Dixon… - The Journal of …, 2006 - pubs.aip.org
The fragmentation dynamics of gas phase phenol molecules following excitation at many wavelengths in the range 279.145⩾ λ phot⩾ 206.00 nm have been investigated by H …
The understanding of molecular structure and function is at the very heart of the chemical and molecular sciences. Experiments that allow for the creation of structurally pure samples …
MNR Ashfold, AL Devine, RN Dixon… - Proceedings of the …, 2008 - National Acad Sciences
High-resolution time-of-flight measurements of H atom products from photolysis of phenol, 4- methylphenol, 4-fluorophenol, and thiophenol, at many UV wavelengths (λphot), have …
The excited-state dynamics of phenol following ultraviolet (UV) irradiation have received considerable interest in recent years, most notably because they can provide a model for …
RN Dixon, TAA Oliver, MNR Ashfold - The Journal of chemical physics, 2011 - pubs.aip.org
When phenol is photoexcited to its S 1 (1 1 ππ*) state at wavelengths in the range 257.403≤ λ phot≤ 275.133 nm the O− H bond dissociates to yield an H atom and a …