Phosphine oxides as novel acceptor groups in molecules presenting non-linear optical properties

作者: Kathleen Chane-Ching , Minh Lequan , Rose Marie Lequan , Claude Runser , Marguerite Barzoukas

DOI: 10.1039/JM9950500649

关键词: StereochemistryAzo compoundDipoleDiphenylphosphine oxidePhysical chemistryAcceptorNonlinear opticsPhosphineMoleculeChemistryHyperpolarization (physics)

摘要: In search for molecules possessing high hyperpolarizabilities, β, the diphenylphosphine oxide group is used as a novel acceptor. Three phosphorus model compounds were synthesized and their non-linear optical (NLO) properties investigated. The results obtained from EFISH measurements are complemented by semi-empirical calculations performed with AM1 hamiltonian method taking account of angle, θ, between dipole moment, µ, vector part tensor, β. Their efficiencies [βx(O)=38–63 × 10–30 esu] make these interesting potential use NLO materials.

参考文章(18)
J.L. Oudar, H. Le Person, Second-order polarizabilities of some aromatic molecules Optics Communications. ,vol. 15, pp. 258- 262 ,(1975) , 10.1016/0030-4018(75)90298-9
Jenwei Yu, Michael C. Zerner, SOLVENT EFFECT ON THE FIRST HYPERPOLARIZABILITIES OF CONJUGATED ORGANIC MOLECULES Journal of Chemical Physics. ,vol. 100, pp. 7487- 7494 ,(1994) , 10.1063/1.466893
M. S. Paley, J. M. Harris, H. Looser, J. C. Baumert, G. C. Bjorklund, D. Jundt, R. J. Twieg, A solvatochromic method for determining second-order polarizabilities of organic molecules The Journal of Organic Chemistry. ,vol. 54, pp. 3774- 3778 ,(1989) , 10.1021/JO00277A007
Michael J. S. Dewar, Kenneth M. Dieter, Evaluation of AM1 calculated proton affinities and deprotonation enthalpies Journal of the American Chemical Society. ,vol. 108, pp. 8075- 8086 ,(1986) , 10.1021/JA00285A033
M. A. Anderson, M. D. Allen, L. M. Ziurys, Millimeter‐wave spectroscopy of MgF: Structure and bonding in alkaline–earth monofluoride radicals Journal of Chemical Physics. ,vol. 100, pp. 824- 830 ,(1994) , 10.1063/1.466565
J. L. Oudar, D. S. Chemla, Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment The Journal of Chemical Physics. ,vol. 66, pp. 2664- 2668 ,(1977) , 10.1063/1.434213
Kathleen Chane Ching, Minh Lequan, Rose-Marie Lequan, Arnaud Grisard, Dimitra Markovitsi, A new zwitterionic salt for non-linear optics: {4′-[methyl(diphenyl)phosphonio]biphenyl-4-yl}triphenylborate Journal of the Chemical Society, Faraday Transactions. ,vol. 87, pp. 2225- 2228 ,(1991) , 10.1039/FT9918702225
E. A. Guggenheim, A proposed simplification in the procedure for computing electric dipole moments Transactions of The Faraday Society. ,vol. 45, pp. 714- 720 ,(1949) , 10.1039/TF9494500714