Design Strategies versus Limiting Theory for Engineering Large Second-Order Nonlinear Optical Polarizabilities in Charged Organic Molecules

2003 ◽  
Vol 15 (3) ◽  
pp. 642-648 ◽  
Author(s):  
Koen Clays ◽  
Benjamin J. Coe
2009 ◽  
Vol 25 (09) ◽  
pp. 1867-1873
Author(s):  
LUO Shan-Shan ◽  
◽  
◽  
QIU Yong-Qing ◽  
LIU Xiao-Dong ◽  
...  

ChemInform ◽  
1988 ◽  
Vol 19 (6) ◽  
Author(s):  
H. E. KATZ ◽  
K. D. SINGER ◽  
J. E. SOHN ◽  
C. W. DIRK ◽  
L. A. KING ◽  
...  

2012 ◽  
Vol 554 (1) ◽  
pp. 22-30 ◽  
Author(s):  
Francois Kajzar ◽  
Lada N. Puntus ◽  
Ileana Rau ◽  
Elena V. Sergeeva ◽  
Konstantin A. Lyssenko

1997 ◽  
Vol 75 (7) ◽  
pp. 1041-1046 ◽  
Author(s):  
B.V.V.S.N. Prabhakara Rao ◽  
D.C. Dube ◽  
D.P. Tewari ◽  
S.C. Mathur ◽  
M. Banerjee

The ground state dipole moments (μg), excited state dipole moments (μe), linear polarizabilities (α), first hyperpolarizabilities (β), and absorption maxima [Formula: see text] of a new series of 6,4′-disubstituted 2-naphthylphenylacetylenes have been calculated using the finite field – MNDO (Modified Neglect of Diatomic Overlap) technique and studied for second-order nonlinear optical (NLO) applications. Among all the molecules studied here, the strongest and the weakest electron donor/acceptor pairs [N(CH3)2/NO2] and [CH3/CN] exhibit the largest and the smallest βμ (projection of β on the axis of the μ) of 46.3 × 10−30 esu and 10.2 × 10−30 esu, respectively. The coefficients of the power law that describes the dependence of α and β on the number of conjugated bonds (n) were calculated for [NH2/NO2]n=1–5 and [NH2/CN]n=1–5 molecules. For β, exponents of 0.36 and 0.31 were obtained for [NH2/NO2]n=1–5 and [NH2/CN]n=1–5 molecules, respectively, and for α, an exponent of 0.37 was obtained for both series of molecules. A comparison is made between naphthylphenylacetylenes and diphenylacetylenes on the basis of their hyperpolarizabilities. Keywords: nonlinear optics, organic molecules, hyperpolarizabilities.


1987 ◽  
Vol 109 (21) ◽  
pp. 6561-6563 ◽  
Author(s):  
H. E. Katz ◽  
K. D. Singer ◽  
J. E. Sohn ◽  
C. W. Dirk ◽  
L. A. King ◽  
...  

1999 ◽  
Vol 598 ◽  
Author(s):  
L. S. Pu ◽  
Y. Nishikata

ABSTRACTCyclobutenedione (CD) as a new electron acceptor for second order nonlinear optical materials is reported. After syntheses and evaluation of new materials containing CD, it is observed that CD is not only a strong electron acceptor to enhance second order molecular hyperpolarizability (β), but also the first substituent to control the molecular orientation in crystals. Compared with nitro (NO2) subsutitent, CD is shown to be advantageous in higher molecular absorption coefficient (ε), shorter λcut-off and easy introduction of chirality with hydrogen bonds into organic molecules. These advantages are useful to produce higher β values and second order nonlinear optical coefficients (dIJK) than nitro analogue, by controlling the molecular orientation in bulk crystals. In particular, CD substituted with chiral 1-amino-2-propanol is shown by x-ray crystallographic analyses to have a function to control molecular orientation one dimensionally in a mono-molecular plate of crystals with space group P1. By oriented gas model, very large d-values including off-diagonals were obtained. From the analysis of the Maker fringe pattern, the coefficient d11 of DAD ((-)-1-(4-dimethyl aminophenyl)-2-(2-hydroxypropylamino)cyclobutene-3,4-dione) was measured to be 200±40 pm/V.


1992 ◽  
Author(s):  
L. Li ◽  
J. Y. Lee ◽  
Y. Yang ◽  
J. Kumar ◽  
S. K. Tripathy

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