期刊
CHEMPHYSCHEM
卷 12, 期 8, 页码 1578-1587出版社
WILEY-BLACKWELL
DOI: 10.1002/cphc.201000949
关键词
chromophores; circular dichroism; exciton model; helix; optical rotary dispersion
资金
- Fonds der Chemischen Industrie
Compact expressions to calculate the transition energies, absorption line strengths, and rotational line strengths of circular dichroism for the excitonic states in a helical arrangement of N identical chromophores are presented. The absorption spectrum A(n) and the CD spectrum C(nu) are given in terms of the same function G(nu, alpha) as A(nu) = sigma(1) G(nu, 0) +alpha(2)G(nu, alpha), C(nu) = (s(1) - s(2))G(nu, alpha) + s(2)G(nu, alpha), + S(B)d/d nu G(nu, alpha). The function G(nu, a) depends only on the helical angle a and the number N of interacting chromophores. An analytical expression can be given when only next-neighbor interactions are considered. All other structural parameters of the system (e. g. orientation of transition dipoles and the translation vector of the helix) enter only into the prefactors a(j) and s(j).
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