采用量子化学方法TDHF/AMI对所设计的一系列新型推拉型手性联萘双卟啉的二阶非线性光学性质进行了理论计算.结果表明,手性联萘双卟啉的二阶NLO系数与相应单卟啉的二阶NLO系数之间的关系不符合简单线性叠加原则.手性联萘基团的加入使推拉型手性联萘双卟啉的静态β_μ值产生了非线性放大效应.
A series of novel push-pull chiral binaphthyl bridged bis-porphyrins have been designed.The calculated second-order NLO properties by TDHF/AM1 method suggest that second-order NLO coefficients of chiral binaphthyl bridged bis-porphyrins and their corresponding mono-porphyrins doesn't match simple additivity rule.The static second-order NLO coefficients β_μ are magnified nonlinearty because of the bridge effect of chiral binaphthyl.
参考文献
| [1] | Boyd R W.Nonlinear optics[M].San Diego:academic Press,1992 |
| [2] | Sioncke S.;Verbiest T.;Persoons A. .Second-order nonlinear optical properties of chiral materials [Review][J].Materials Science & Engineering, R. Reports: A Review Journal,2003(5/6):115-155. |
| [3] | Wang XO;Li JQ;Li CF .Three-coupled-oscillator model for nonlinear optical response of chiral molecules with tripod-like structure[J].Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature,2005(1):37-44. |
| [4] | Botek E;Andre JM;Champagne B;Verbiest T;Persoons A .Mixed electric-magnetic second-order nonlinear optical response of helicenes - art. no. 234713[J].The Journal of Chemical Physics,2005(23):34713-0. |
| [5] | Verbiest T;Sioncke S;Persoons A .Magnetic-dipole nonlinearities in chiral materials[J].Journal of Photochemistry and Photobiology A:chemistry,2001,145(02):113. |
| [6] | Philip B.;Sreekumar K. .Studies on second harmonic generation efficiency by a series of chiral polyesters[J].Journal of Applied Polymer Science,2003(9):2468-2473. |
| [7] | Verbiest T;Van Elshocht S;Kauranen M et al.Strong enhancement of nonlinear optical properties through supramolecular chirality[J].Science,1998,282(5390):913. |
| [8] | Edith Botek;Benoit Champagne;Mohamed Turki;Jean-Marie Andre .Theoretical study of the second-order nonlinear optical properties of [N]helicenes and [N]phenylenes[J].The Journal of Chemical Physics,2004(4):2042-2048. |
| [9] | Pu L. .1,1 '-binaphthyl dimers, oligomers, and polymers: Molecular recognition, asymmetric catalysis, and new materials [Review][J].Chemical Reviews,1998(7):2405-2494. |
| [10] | Satyam P;Michael J T;David N B .Acetylenyl-linked,porphyrin-bridged,donor-acceptor molecules:A theoretical analysis of the molecular first hyperpolarizability in highly conjugated push-pull chromophore structures[J].Journal of the American Chemical Society,1996,118:1504. |
| [11] | Frisch M J;Trucks G W;Schlegel H B.Gaussian 03 (Revision CO2)[M].Pittsburgh PA:Gaussian,Inc,2003 |
| [12] | Bersohn R;Pao Y H;Frisch H L .Double-quantum light scattering by molecules[J].Journal of Chemical Physics,1966,45(09):3184. |
| [13] | Eriksson S et al.Excition splitting in the spectra of covalently linked porphyrins[J].Chemical Physics,1990,146:165. |
| [14] | Prendergast K;Spiro T G .Predicted geometries of porphyrin excited states and radical cations and anions[J].Journal of Physical Chemistry,1991,95:9728. |
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