Infrared spectroscopy of hydrated N-(2-phenylethyl)acetamide clusters: The electron-redistribution within the solute weakens local hydrogen bond

[Display omitted] ► The IR-dip spectroscopy has been applied to investigate the H-bond interaction of the hydrated NPEA cluster cation. ► The spatially separated water molecules influence their intermolecular interactions. ► The electrons are redistributed to enhance the total intermolecular interac...

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics 2013-06, Vol.419, p.138-144
Main Authors: Sakota, Kenji, Harada, Satoshi, Sekiya, Hiroshi
Format: Article
Language:English
Subjects:
Hydrated cluster ions
Hydrogen bonds
IR spectroscopy
N-(2-phenylethyl)acetamide
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:[Display omitted] ► The IR-dip spectroscopy has been applied to investigate the H-bond interaction of the hydrated NPEA cluster cation. ► The spatially separated water molecules influence their intermolecular interactions. ► The electrons are redistributed to enhance the total intermolecular interactions in the D0 state of hydrated NPEA cluster. The hydrated N-(2-phenylethyl)acetamide (NPEA) clusters have been investigated in the gas phase. In the S0 state of NPEA-(H2O)2, each of two water molecules is hydrogen-bonded to the NH and CO groups, respectively, whereas these two groups are bridged with three water molecules in the S0 state of NPEA-(H2O)3. Upon photoionization of these clusters, mono- and dihydrated NPEA cluster cations are produced, where a water molecule is hydrogen-bonded to the NH group. In [NPEA-(H2O)2]+, the other water molecule is located near the CO group of NPEA+ due to a charge–dipole interaction. The electrons of NPEA+ are redistributed to enhance the total intermolecular interactions, leading to weakening the hydrogen bond in [NPEA-(H2O)2]+.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2013.01.020