Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation

1994 ◽  
Vol 116 (23) ◽  
pp. 10703-10714 ◽  
Author(s):  
F. Meyers ◽  
S. R. Marder ◽  
B. M. Pierce ◽  
J. L. Bredas

1999 ◽  
Vol 103 (50) ◽  
pp. 11016-11020 ◽  
Author(s):  
Gema Rojo ◽  
Fernando Agulló-López ◽  
José A. Campo ◽  
José V. Heras ◽  
Mercedes Cano


1993 ◽  
Vol 90 (23) ◽  
pp. 11297-11301 ◽  
Author(s):  
C B Gorman ◽  
S R Marder

A computational method was devised to explore the relationship of charge separation, geometry, molecular dipole moment (mu), polarizability (alpha), and hyperpolariz-abilities (beta, gamma) in conjugated organic molecules. We show that bond-length alternation (the average difference in length between single and double bonds in the molecule) is a key structurally observable parameter that can be correlated with hyperpolarizabilities and is thus relevant to the optimization of molecules and materials. By using this method, the relationship of bond-length alternation, mu, alpha, beta, and gamma for linear conjugated molecules is illustrated, and those molecules with maximized alpha, beta, and gamma are described.





Molecules ◽  
2015 ◽  
Vol 20 (4) ◽  
pp. 5554-5565 ◽  
Author(s):  
Guanghong Ao ◽  
Zhengguo Xiao ◽  
Xuemin Qian ◽  
Zhongguo Li ◽  
Yuxiao Wang ◽  
...  


2015 ◽  
Vol 137 (3) ◽  
pp. 1024-1027 ◽  
Author(s):  
Masaki Shimada ◽  
Yoshinori Yamanoi ◽  
Tomonori Matsushita ◽  
Takashi Kondo ◽  
Eiji Nishibori ◽  
...  


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