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Theoretical studies on NLO properties of push‐pull multi‐cycle electro‐optical polymer intermediates including thiophene ring
Author(s) -
Fu Wei,
Feng JiKang,
Yu KunQian,
Ren AiMin,
Wang JiangHong,
Shen YuQuan
Publication year - 2000
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20000180605
Subject(s) - chemistry , thiophene , conjugated system , ring (chemistry) , polymer , nonlinear optical , acceptor , computational chemistry , chain (unit) , side chain , photochemistry , nonlinear system , organic chemistry , condensed matter physics , physics , quantum mechanics , astronomy
The second‐order nonlinear optical susceptibilities β, β μ , and third‐order non‐linear optical susceptibilities γ, 〈γ〉 of a series of the novel push‐pull multi‐ring electro‐photo polymer intermediates have been calculated. The influences of molecular structure, donor, acceptor and the frequency of external field on β and γ, and the relationship between γ and the number of thiophene rings ( i. e . conjugated chain length) have been studied using INDO/SCI methods combined with sum‐overstate (SOS) formula. The calculated results show that γ is proportional to 2.69 power of the chain length of the conjugated molecular bonds when the length is not quite long.