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Absolute Signs of the Order Parameters and the Structures of Benzo[C]bisisothiazoles

Subburam, R and Sinha, KP and Kunwar, AC and Khetrapal, CL and Davis, M (1984) Absolute Signs of the Order Parameters and the Structures of Benzo[C]bisisothiazoles. In: Molecular Crystals and Liquid Crystals, 112 (1). pp. 285-292.

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Proton NMR spectra including the $^{13}C$-satellites of two benzobisisothiazoles, namely, benzo $(1,2-C : 4,3-C^\prime)$- and benzo $(2,1-C : 3,4-C^\prime)$bisisothiazoles (referred to as (I) and (II) repsectively) have been studied in the nematic phase of $N-(P^\prime-ethoxyben-zylidene)$-p-n-butylaniline. The derived HH and $^{13}CH$ direct dipolar couplings have been corrected for harmonic vibrations and the $r\alpha$ structures derived. The results indicate that the molecules are planar and there is a considerable bond fixation in (II). As some of the dipolar couplings could not be derived precisely in (I), it was hard to conclude anything definite about the bond fixation. In (I) the magnitude of the order parameter of the axis perpendicular to the $C_2$-symmetry axis and in the molecular plane is larger than 0.5 and hence its absolute sign is positive. In analogy with (I), the signs of the order parameters in (II) have also been derived.

Item Type: Journal Article
Publication: Molecular Crystals and Liquid Crystals
Publisher: Taylor & Francis
Additional Information: Copyright of this article belongs to Taylor & Francis.
Department/Centre: Division of Physical & Mathematical Sciences
Date Deposited: 24 Mar 2008
Last Modified: 27 Aug 2008 13:16
URI: http://eprints.iisc.ac.in/id/eprint/13408

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