Use of subspectra of 77Se in the 1H nuclear magnetic resonance spectroscopy of molecules partially oriented in a nematic mesophase. Analysis of selenophen-2-carbaldehyde

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Abstract
The 100 MHz 1H n.m.r. spectrum of selenophen-2-carbaldehyde dissolved in a nematic mesophase was recorded and analysed. The 77Se subspectrum was also used to obtain a set of 77Se–1H anisotropic coupling constants. A theoretical force field was derived in order to take the vibrational averaging effects in the Dij direct coupling calculations into account. The contribution of 77Se–1H anisotropic indirect couplings appears to be negligible. The existence of a single Se–O cis-conformer was confirmed and some evidence was found for the presence of a small percentage of Se–O trans-conformer.