Quantum chemical study of internal rotations in liquid crystal molecules

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Abstract

The rotational barriers of p-azoxy-anisole and dibutyl-phenyl-benzoyloxy-benzoates nematic liquid crystal molecules were calculated by the PCILO and CNDO/2 quantum chemical methods. It was found that motion in the side group is hindered to a given extent. According to chemical evidence the central part of the molecules is supposed to be completely rigid.

Original languageEnglish
Pages (from-to)69-76
Number of pages8
JournalActa Physica Academiae Scientiarum Hungaricae
Volume46
Issue number2
DOIs
Publication statusPublished - Apr 1979

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liquid crystals
anisole
molecules

ASJC Scopus subject areas

  • Nuclear and High Energy Physics

Cite this

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title = "Quantum chemical study of internal rotations in liquid crystal molecules",
abstract = "The rotational barriers of p-azoxy-anisole and dibutyl-phenyl-benzoyloxy-benzoates nematic liquid crystal molecules were calculated by the PCILO and CNDO/2 quantum chemical methods. It was found that motion in the side group is hindered to a given extent. According to chemical evidence the central part of the molecules is supposed to be completely rigid.",
author = "S. Kugler and G. N{\'a}ray-Szab{\'o}",
year = "1979",
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AB - The rotational barriers of p-azoxy-anisole and dibutyl-phenyl-benzoyloxy-benzoates nematic liquid crystal molecules were calculated by the PCILO and CNDO/2 quantum chemical methods. It was found that motion in the side group is hindered to a given extent. According to chemical evidence the central part of the molecules is supposed to be completely rigid.

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