On the nanoscopic structural heterogeneity of liquid n-alkyl carboxylic acids. Issue 36 (6th September 2021)

• Record Type: Journal Article
• Authors: Mariani, Alessandro; Innocenti, Alessandro; Varzi, Alberto; Passerini, Stefano
• Is Part Of: Physical chemistry chemical physics. Volume 23:Issue 36(2021)
• Page Start: 20282
• Page End: 20287
• Publication Date: 2021-09-06
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d1cp02846d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The amphiphilic nature of simple n -alkyl carboxylic acids is found to induce nanoscopic heterogeneity in their structure. Our joint SAXS and computational investigation clarified the very origin of this uncommon behaviour. Abstract : Herein we report the first in-depth structural characterisation of simple linear carboxylic acids with alkyl tail length ranging from one to six carbon atoms. By means of the SWAXS technique, a pronounced nanoscopic heterogeneity evolving along the aliphatic portion of the molecule is highlighted. Via classical molecular dynamics, the origin of such heterogeneity is unambiguously assigned to the existence of aliphatic domains resulting from the self-segregation of the polar and apolar portions of the molecules. Furthermore, the structural correlation of aliphatic-separated polar domains is responsible for observing the so-called "pre-peak" in the SAXS region.