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Theoretical Study on the Important Roles of Sulfanilamide Group in Designing the Nonlinear Optical Materials(PDF)

《南京师大学报（自然科学版）》[ISSN:1001-4616/CN:32-1239/N]

Issue:
2007年03期
Page:
54-57
Research Field:
化学
Publishing date:

Info

Title:
Theoretical Study on the Important Roles of Sulfanilamide Group in Designing the Nonlinear Optical Materials
Author(s):
Wang Ying; Zhao Bo; Liang Xiaorui; Xie Weijia
School of Chemistry and Environmental Science,Nanjing Normal University,Nanjing 210097,China
Keywords:
sulfanilam ide group;  second-orde r non linear optica l property;  PM3 m ethod
PACS:
O621.2
DOI:
-
Abstract:
A ser ies of su lfanilam ide group substituted der iva tives w ere optim ized on the basis o f the sem i em pirica l quantum chem istry PM3 m ethod. The first m olecu lar hyperpolar izab ilities w ere ca lcu lated using Gam ess program package. The im po rtant ro les of the sulfanilam ide group in des igning effective non linear optical ma teria ls as w ell as the effects o f the different substituents and substituted po sitions w ere d iscussed. Th is se ries o f compounds are w orth study ing further

References:

[ 1] ZhuW H, W u G S. An ab initio study on the first-and third-order polarizabilities of the octupolar he teroarom a tic-substituted triaz ines[ J]. J Phys Chem A, 2002, 106( 31): 7 216-7 221.
[ 2] Th ierry V, Sven V E, M artti K, e t a.l Strong enhancem en t of nonlinear optica l properties through supram o lecular chira lity[ J] . Science, 1998, 282: 913-915.
[ 3] 张克从, 王希敏. 非线性光学晶体材料科学[M ]. 2版. 北京: 科学出版社, 2004.
[ 4] Zhao B, Wu Y, Zhou ZH, et a.l The im po rtant ro les o f the bromo group in improv ing the properties of organ ic non linear optica lm ate rials[ J] . JM ater Chem, 2000, 10: 1 513-1 517.
[ 5] Oudar J L, Zyss J. Structural dependence o f nonlinear-optica l prope rties o f m ethyl( 2, 4-dinitrophenyl) -am inopropanoate crysta ls[ J]. Phys Rev A, 1982, 26( 4): 2016-2 027.
[ 6] Panunto T W, Lipkow ska Z U, Johnson R, et a .l H ydrog en-bond fo rm ation in n itro an ilines: the first step in design acentric materials[ J]. J Am Chem Soc, 1987, 109: 7 786-7 797.
[ 7] Zyss J, Chem la D S, N icoud J F. Demonstration of effic ient non-linear optica l crysta l w ith vanish ing m o lecu lar d ipole moment-2nd-harmonic gene ration in3-m ethy l-4-n itropyr idine-1-ox ide[ J]. J Chem Phys, 1981, 74( 9): 4 800-4 811.
[ 8] 赵波, 周志华, 谭锡林. 几种芳香类NLO材料中非对位取代基团的作用[ J]. 高等学校化学学报, 2001, 22( 10): 1 728-1 731.
[ 9] 赵波, 周志华. 3-甲基-4-硝基吡啶氧中甲基对二阶非线性光学性质的作用[ J]. 南京师大学报: 自然科学版, 2003,26( 2): 52-55.
[ 10] Fr ischM J, Trucks G W, Sch lege lH B, e t a.l Gaussian 03, Rev ision B. 05 [ CP]. Pittsburgh PA: G aussian, Inc, 2003.
[ 11] Schm idtM W, Ba ldr idge K K, Boa tz J A. Genera l atom ic and m o lecular electronic structure system [ J]. J Compu t Chem,1993, 14( 11): 1 347-1 363.

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Last Update: 2013-05-05