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Helical twisting power and chirality indices

Kamberaj, H. and Osipov, M.A. and Low, R.J. and Neal, M.P. (2004) Helical twisting power and chirality indices. Molecular Physics, 102 (5). pp. 431-446. ISSN 0026-8976

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Abstract

We review the statistical theory of helical twisting power and propose an alternative derivation of the results obtained by Nordio and co-workers [1999, J. chem. Soc. Perkin Trans., 2, 411]. We examine chiral indices which include an interaction between the host and dopant, then compare these with chiral indices dependent only on the dopant structure. We discuss the need for the inclusion of the interaction between dopant and host in the description of chiral induction, and discuss alternative measures of chirality and their shortcomings. We show that both the previously suggested surface indices and the newly proposed one vanish for at least one class of non-trivial chiral structures. We compare the results obtained from these surface indices with a more general 3D chiral index and evaluate these indices for four helicene (M)-1-4 molecules.

Item type: Article
ID code: 2180
Keywords: helical twisting power, chiral indices, host, dopant, surface indices, helicene molecules, Mathematics, Molecular Biology, Physical and Theoretical Chemistry, Biophysics, Condensed Matter Physics
Subjects: Science > Mathematics
Department: Faculty of Science > Mathematics and Statistics
Related URLs:
    Depositing user: Strathprints Administrator
    Date Deposited: 05 Jan 2007
    Last modified: 04 Sep 2014 12:35
    URI: http://strathprints.strath.ac.uk/id/eprint/2180

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