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Chia Shen Sow, Joseph Tomkins and Prof. Gabriel Hanna Computational Study of the One- and Two-Dimensional Infrared Spectra of a Proton-Transfer Mode in a Hydrogen-Bonded Complex Dissolved in a Polar Nanocluster ChemPhysChem 14

Article first published online: 15 AUG 2013 | DOI: 10.1002/cphc.201300610

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The size of it: Increasing the number of solvent molecules in a nanocluster containing a phenol–trimethylamine complex solvated by CH3Cl molecules initiates a transition from a cluster to a bulk-like state. The 1D and 2D IR spectra reflect this transition through pronounced changes in their peak intensities and numbers (see picture).

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