Journal article
Infrared and Raman spectroscopy of non-conventional hydrogen bonding between N,N′-disubstituted urea and thiourea groups: a combined experimental and theoretical investigation
Physical Chemistry Chemical Physics, Vol.21(6), pp.3310-3317
2019
Abstract
The variety of H bond (HB) interactions is a source of inspiration for bottom-up molecular engineering through self-aggregation. Non-conventional intermolecular HBs between N,N′-disubstituted urea and thiourea are studied in detail by vibrational spectroscopies and ab initio calculations. Raman and IR mode assignments are given. We show that it is possible to study selectively the different intermolecular bifurcated intra- and inter-dimer HBs with the two types of HB acceptors. Through the ab initio calculation, the thioamide I mode, a specific marker of N-H⋯S[double bond, length as m-dash]C HB interactions, is unambiguously identified.
Details
- Title
- Infrared and Raman spectroscopy of non-conventional hydrogen bonding between N,N′-disubstituted urea and thiourea groups: a combined experimental and theoretical investigation
- Authors
- Rozenn Le Parc (Author) - Université de Montpellier, FranceVania T Freitas (Author) - Université de Montpellier, FrancePatrick Hermet (Author) - Institut Charles Gerhardt Montpellier, FranceAna M Cojocariu (Author) - Institut Charles Gerhardt Montpellier, FranceXavier Cattoen (Author) - Univ. Grenoble Alpes, FranceHubert Wadepohl (Author) - Anorganisch-Chemisches Institut der Universitaet Im Neuenheimer Feld 270, GermanyDavid Maurin (Author) - Université de Montpellier, FranceCheuk Hin Tse (Author) - Université de Montpellier, FranceJohn R Bartlett (Author) - University of the Sunshine CoastRute A S Ferreira (Author) - University of Aveiro, PortugalLuis D Carlos (Author) - University of Aveiro, PortugalMichel Wong Chi Man (Author) - Institut Charles Gerhardt Montpellier, FranceJean-Louis Bantignies (Author) - Université de Montpellier, France
- Publication details
- Physical Chemistry Chemical Physics, Vol.21(6), pp.3310-3317
- Publisher
- Royal Society of Chemistry (R S C) Publications
- Date published
- 2019
- DOI
- 10.1039/C8CP06625F
- ISSN
- 1463-9076
- Organisation Unit
- School of Science and Engineering - Legacy; University of the Sunshine Coast, Queensland
- Language
- English
- Record Identifier
- 99450753402621
- Output Type
- Journal article
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