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Main Title: IR spectroscopy of pyridine-water structures in helium nanodroplets
Author(s): Nieto, Pablo
Letzner, Melanie
Endres, Torsten
Schwaab, Gerhard
Havenith, Martina
Type: Article
Language Code: en
Abstract: We present the results of an IR spectroscopic study of pyridine–water heterodimer formation in helium nanodroplets. The experiments were carried out in the frequency range of the pyridine C–H stretch region (3055–3100 cm−1) and upon water deuteration in the D–O stretch region (2740–2800 cm−1). In order to come to an unambiguous assignment we have determined the angle between the permanent dipole and the vibrational transition moment of the aggregates. The experiments have been accompanied by theoretical simulations which yielded two minimum structures with a 16.28 kJ mol−1energy difference. The experimentally observed bands were assigned to two structures with different H-bonds: an N⋯H bond and a bifurcated O⋯H–C bond.
Issue Date: 2014
Date Available: 23-Jun-2016
DDC Class: 540 Chemie und zugeordnete Wissenschaften
Sponsor/Funder: DFG, FOR 618, Die Aggregation kleiner Moleküle mit präzisen Methoden verstehen - Experiment und Theorie im Wechselspiel
Journal Title: Physical chemistry, chemical physics
Publisher: Royal Society of Chemistry
Publisher Place: Cambridge
Volume: 16
Issue: 18
Publisher DOI: 10.1039/c3cp55284e
Page Start: 8384
Page End: 8391
EISSN: 1463-9076
Notes: Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.
This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.
Appears in Collections:Inst. Optik und Atomare Physik » Publications

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