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First Hyperpolarizabilities of 1,3,5‐Tricyanobenzene Derivatives: Origin of Larger β Values for the Octupoles than for the Dipoles
Author(s) -
Lee Sang Hae,
Park Jo Ryoung,
Jeong MiYun,
Kim Hwan Myung,
Li Shaojun,
Song Jongwon,
Ham Sihyun,
Jeon SeungJoon,
Cho Bong Rae
Publication year - 2006
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200500274
Subject(s) - chemistry , dipole , triple bond , bond length , single bond , bond order , lambda , molecular geometry , diphenylacetylene , oscillator strength , beta (programming language) , computational chemistry , crystallography , stereochemistry , molecule , double bond , physics , quantum mechanics , organic chemistry , crystal structure , programming language , alkyl , computer science , spectral line , catalysis
A series of donor–acceptor substituted stilbene and diphenylacetylene derivatives and their octupolar analogues have been synthesized and the linear and nonlinear optical properties ( β ) studied by both experiments and theoretical calculation. The λ max of the dipoles increases with the conjugation length and is always larger when the C C bond is used, instead of the C≡C bond, as the conjugation bridge. Although the λ max values of the octupoles show no clear trend, they are much larger than those of the dipoles. The β (0) values of the dipoles increase with conjugation length and as the conjugation bridge is changed from the C≡C to C C bond. This increase is accompanied by an increase in either λ max or the oscillator strength. Similarly, the β (0) values of the octupoles increase with the conjugation length and with a change in the donor in the order: NEt 2
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