Characterization of amide-alkanediol intermolecular interactions

The Journal of Physical Chemistry. B
Rafael AlcaldeSantiago Aparicio

Abstract

The properties of formamide + 1,2-alkanediol binary liquid systems were studied both at the macro- and microscopic levels using a combined experimental and computational methodology. Physicochemical properties, infrared spectroscopy, and solvatochromic studies together with classic molecular dynamics and quantum chemistry calculations allowed the main characteristics of these binary fluids to be inferred with regard to the variations of hydrogen bonding with formamide and 1,2-alkanediol molecular structures, mixture composition, and temperature. The complexity of these liquid systems arising from the presence of three different functional groups, which may act as hydrogen bond donors and acceptors, is analyzed, allowing a detailed picture to be inferred of the studied systems which is of relevance both for basic liquid state theory and for industrial purposes.

References

Sep 15, 1988·Physical Review A: General Physics·A D Becke
Jul 18, 2001·Journal of the American Chemical Society·N KobkoJ J Dannenberg
Aug 31, 2004·The Journal of Chemical Physics·Eiji Tsuchida
Feb 21, 2009·Journal of Computational Chemistry·L MartínezJ M Martínez
Apr 22, 2009·The Journal of Physical Chemistry. B·João M M Cordeiro, Alan K Soper
Jan 19, 2010·The Journal of Chemical Physics·Imre BakóSoong-Hyuck Suh
Dec 27, 2011·Physics of Life Reviews·Raffaele SaladinoErnesto Di Mauro
Feb 2, 2012·Physical Chemistry Chemical Physics : PCCP·Jan Jadżyn, Jolanta Świergiel
Feb 14, 2012·The Journal of Physical Chemistry. B·Michael D Hands, Lyudmila V Slipchenko
Jan 18, 2013·Angewandte Chemie·Koichi FuminoRalf Ludwig
May 11, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Jacob Israelachvili, Marina Ruths
Jul 22, 2014·Langmuir : the ACS Journal of Surfaces and Colloids·Jordan S LanePaul O'Shea
Sep 10, 2014·The Journal of Physical Chemistry. B·Gregorio GarcíaSantiago Aparicio

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Citations

May 14, 2016·The Journal of Physical Chemistry. B·Rafael AlcaldeSantiago Aparicio
May 19, 2017·The Journal of Physical Chemistry. B·Rafael AlcaldeSantiago Aparicio
Jul 18, 2017·Giornale Italiano Di Dermatologia E Venereologia : Organo Ufficiale, Società Italiana Di Dermatologia E Sifilografia·Roberta Di CaprioSerena Lembo

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