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. Author manuscript; available in PMC: 2011 Apr 1.

Published in final edited form as: Biochim Biophys Acta. 2010 Jan 4;1798(4):788–800. doi: 10.1016/j.bbamem.2009.11.024

Demonstration of the validity of the theoretical formalism used to calculate tilt angles of functional groups. The molecule is behenic acid methyl ester (structure shown). IRRAS spectral data (D₂O subphase) for p-polarized and s-polarized radiation are shown in A) and B), respectively. The complex C=O contour was resolved and the orientation of the 1737 cm⁻¹ band arising from unhydrated C=O groups was determined. The experimental p/s band intensity ratios are shown as a function of angle of incidence in C) along with the theoretical simulations for a 90° tilt angle. (reprinted with permission (pending) from ).

Inline graphic — Demonstration of the validity of the theoretical formalism used to calculate tilt angles of functional groups. The molecule is behenic acid methyl ester (structure shown). IRRAS spectral data (D₂O subphase) for p-polarized and s-polarized radiation are shown in A) and B), respectively. The complex C=O contour was resolved and the orientation of the 1737 cm⁻¹ band arising from unhydrated C=O groups was determined. The experimental p/s band intensity ratios are shown as a function of angle of incidence in C) along with the theoretical simulations for a 90° tilt angle. (reprinted with permission (pending) from ).