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Updated: Jun 30, 2025

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems
Published on: February 10, 2020
Methane dimer rovibrational states and Raman transition moments
Alberto Martín Santa Daría1,2, Gustavo Avila2, Edit Mátyus2
1Departamento de Química Física, University of Salamanca, 37008 Salamanca, Spain.
Abstract:
Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019, 21, 13504-13525]. A simple polarizability model is used to compute Raman transition moments that may be relevant for future direct observation of the intermolecular dynamics. Non-negligible ΔK ≠ 0 transition moments arise in this symmetric top system due to strong rovibrational couplings.
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