Hydrogen Bonds
Hydrogen Bonds
IR Spectrum Peak Broadening: Hydrogen Bonding
¹H NMR: Complex Splitting
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Updated: Mar 21, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Franziska A Balmer1, Philipp Ottiger2, Samuel Leutwyler3
1Universität Bern, Departement für Chemie und Biochemie, Freiestrasse 3, CH-3012 Bern, Switzerland.
Investigating benzonitrile (BN)2 and meta-cyanophenol (mCP)2 dimers reveals that while hydrogen bonds significantly shift spectra, they minimally impact excitonic splitting. Stronger OH···N≡C bonds in (mCP)2 lead to greater vibronic quenching compared to (BN)2.
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