2-Methoxyethanol: harmonic tricks, anharmonic challenges and chirality-sensitive chain aggregation.

Phys Chem Chem Phys

Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Tammannstr. 6, 37077 Göttingen, Germany.

Published: July 2020

The Raman spectrum of jet-cooled, nearly monoconformational 2-methoxyethanol reveals a strong, aggregation-sensitive resonance in the backbone stretching region and pronounced chirality-dependent dimerisation effects in the OH stretching region. These effects are disentangled by a dual-detection scheme which simultaneously probes the two spectral regions. The performance of mass-scaled harmonic wavenumber predictions and of vibrational perturbation theory in reproducing these spectral features is explored.

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http://dx.doi.org/10.1039/d0cp02488kDOI Listing

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