Determination of dipole-dipole couplings in oriented n-hexane by two-dimensional NMR

Journal Article · Wed Oct 15 04:00:00 EDT 1986 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00281a064· OSTI ID:6996674

Gochin, M; Schenker, K V; Zimmermann, H; Pines, A

We give here a preliminary report of a method to analyze spectra and determine structures of molecules dissolved in liquid crystals. The basic idea is the use of randomly deuterated samples (a synthetically facile undertaking) which contain a mixture of all possible isotopomers of a molecule. This approach has been used before in the analysis of some cyclic compounds in nematic liquid crystals. A highly deuterated sample will contain mostly isotopomers with just a few protons. Thus, the task of interpreting one complex spectrum is reduced to one of analyzing a large number of simple but overlapping spectra. The crucial point is the ability to recognize the individual signals which derive from the same spin system (arise from one isotopomer). This can be achieved by the combined application of two-dimensional NMR and multiple-quantum NMR techniques as is shown for the case of n-hexane.

• Research Organization: Univ. of California, Berkeley
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6996674
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:21; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400201* -- Chemical & Physicochemical Properties
ALKANES
COUPLING
DATA
DEUTERIUM COMPOUNDS
DIPOLE MOMENTS
EXPERIMENTAL DATA
HEXANE
HYDROCARBONS
HYDROGEN COMPOUNDS
INFORMATION
MAGNETIC RESONANCE
MOLECULAR STRUCTURE
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUMERICAL DATA
ORGANIC COMPOUNDS
RESONANCE
SPECTRA