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Comparison of the maximum entropy and additive potential methods for obtaining rotational potentials from the NMR spectra of samples dissolved in liquid crystalline solvents. The case of 4-nitro-1-(.beta.,.beta.,.beta.-trifluoroethoxy)benzene

Authors :
Giorgio Celebre
James W. Emsley
D. Catalano
Marcello Longeri
C. A. Veracini
I. D. Wallington
Publication Year :
1993

Abstract

The maximum entropy (ME) and additive potential (AP) methods of determining the angular distribution functions, p(ω,χ), from the partially-averaged dipolar couplings obtained from the NMR spectra of liquid crystalline samples are compared. Here ω represents the orientation of the mesophase director in a molecular frame, and χ represents bond rotational motion. It is emphasized that these two methods are fundamentally different. Thus, the model-independent ME analysis can determine only p LC (ω,χ) and p LC (χ), which are dependent on the potential of mean torque, U ext (ω,χ), and the subscript LC denotes that these distributions are for the liquid-crystalline phase

Details

Database :
OpenAIRE
Accession number :
edsair.doi.dedup.....0a656facbac4ce5eded15d70b7336196