Rotational isomers of hydroxy deuterated o- and m-cresols studied by ultraviolet high resolution experiments
Literature Information
Christian Ratzer, Michael Schmitt
The laser induced fluorescence spectra of several torsional transitions of the S1 ← S0 electronic transition were recorded for the hydroxy deuterated o- and m-cresols. Both cis and trans rotamers were observed in a high resolution molecular beam experiment. The spectra were analyzed using a genetic algorithm assisted automatic assignment. The Hamiltonian used included rotational, torsional and rotation–torsion components. Both, high resolution rotationally resolved spectra and low resolution torsional frequencies, were combined to obtain the rotational constants, the direction of the methyl group axis, and the V3 and V6 barriers to internal rotation of the methyl top in the ground (S0) and excited (S1) states. The lifetime of the S1 state is also reported. Quantum interference effects due to the interaction of the internal and overall rotation allowed for determination of the absolute sign of the angle between transition moment and the a principal axis.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












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