Infrared and Raman spectroscopy of non-conventional hydrogen bonding between N,N'-disubstituted urea and thiourea groups: a combined experimental and theoretical investigation

• Published in: Physical chemistry chemical physics : PCCP Vol. 21; no. 6; pp. 3310 - 3317
• Main Authors: Le Parc, Rozenn, Freitas, Vania T, Hermet, Patrick, Cojocariu, Ana M, Cattoën, Xavier, Wadepohl, Hubert, Maurin, David, Tse, Cheuk Hin, Bartlett, John R, Ferreira, Rute A S, Carlos, Luis D, Wong Chi Man, Michel, Bantignies, Jean-Louis
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 06.02.2019
• Subjects: Bifurcations; Chemical Sciences; Dimers; Hydrogen bonding; Hydrogen bonds; Infrared spectra; Material chemistry; Mathematical analysis; Raman spectroscopy; Spectrum analysis; Tables; Thioureas; Ureas

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...