Probing molecular structure at interfaces for comparison with bulk solution behavior: water/2-propanol mixtures monitored by vibrational sum frequency spectroscopy

Journal of the American Chemical Society
Sho Kataoka, Paul S Cremer

Abstract

The orientation of the isopropyl group at the liquid/vapor interface in 2-propanol/water binary mixtures was studied by vibrational sum frequency spectroscopy. The CH(3) stretch modes of the two methyl groups were used to determine the molecule's orientation by employing a novel united atom approach to model the (CH(3))(2)X moiety. For this purpose, the changes in the molecular susceptibility of the isopropyl group stretches were derived in the laboratory frame as a function of the tilt and twist angles. The results indicated that the methyl groups lay down on the surface at low alcohol mole fraction and gradually twisted with increasing mole fraction. At the azeotrope, x(iso) = 0.68, one of the methyl groups aligned approximately parallel to the surface normal, whereas the other was nearly parallel with the liquid/vapor interface. When the mole fraction of 2-propanol was higher than 0.68, the orientation of 2-propanol remained almost constant. The change in the alcohol's orientation with 2-propanol mole fraction closely tracked changes in its bulk activity coefficient. Such results lead to a picture in which the surface structure and bulk properties of the system are closely linked.

References

Feb 9, 1989·Nature·D J CaponJ E Groopman
Dec 5, 2003·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Marc C GurauPaul S Cremer
Aug 26, 2004·Journal of the American Chemical Society·Marc C GurauPaul S Cremer
Jul 21, 2006·The Journal of Physical Chemistry. B·Jaeho SungDoseok Kim
Jul 27, 2006·The Journal of Physical Chemistry. B·Elizabeth L HommelHeather C Allen

❮ Previous
Next ❯

Citations

Jul 5, 2012·Journal of Molecular Modeling·Morteza KhabiriRudiger Ettrich
Jun 20, 2012·ACS Applied Materials & Interfaces·Chi ZhangZhan Chen
Mar 23, 2013·Journal of the American Chemical Society·Halil I OkurPaul S Cremer
Jun 4, 2013·Physical Chemistry Chemical Physics : PCCP·Tobias Weidner, David G Castner
Jan 31, 2014·The Journal of Physical Chemistry. B·Shinichi Enami, Agustín J Colussi
Jul 16, 2010·Proceedings of the National Academy of Sciences of the United States of America·Tobias WeidnerDavid G Castner
Apr 9, 2016·Journal of the American Chemical Society·Michael A DonovanTobias Weidner
Jan 18, 2017·The Journal of Physical Chemistry. B·Halil I OkurPavel Jungwirth
Mar 21, 2017·The Journal of Physical Chemistry Letters·Shinichi Enami, A J Colussi
Apr 28, 2017·Physical Chemistry Chemical Physics : PCCP·Nathan W UlrichZhan Chen
Jan 29, 2010·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Francesca CecchetAndré Peremans
Jun 11, 2009·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Julien GuthmullerBenoît Champagne
Jul 22, 2014·Physical Chemistry Chemical Physics : PCCP·Jonathan F D LiljebladMark W Rutland
Apr 8, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Sho KataokaAkira Endo
Oct 31, 2009·The Journal of Physical Chemistry. B·Tobias WeidnerDavid G Castner
Jul 10, 2021·The Journal of Chemical Physics·Christopher P BaryiamesCarlos R Baiz
Jul 31, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Zhijing WanDennis K Hore
Mar 20, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Chi ZhangZhan Chen
Sep 26, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Chengcheng ZhangZhan Chen
Sep 21, 2007·Journal of the American Chemical Society·Xin ChenPaul S Cremer
Nov 17, 2006·The Journal of Physical Chemistry. B·Yoshimichi Andoh, Kenji Yasuoka
Jan 26, 2008·The Journal of Physical Chemistry. B·Jie WangZhan Chen

❮ Previous
Next ❯

Related Feeds

Antifungals (ASM)

An antifungal, also known as an antimycotic medication, is a pharmaceutical fungicide or fungistatic used to treat and prevent mycosis such as athlete's foot, ringworm, candidiasis, cryptococcal meningitis, and others. Discover the latest research on antifungals here.

Antifungals

An antifungal, also known as an antimycotic medication, is a pharmaceutical fungicide or fungistatic used to treat and prevent mycosis such as athlete's foot, ringworm, candidiasis, cryptococcal meningitis, and others. Discover the latest research on antifungals here.