Experimental Demonstration of the Dependence of the First Hyperpolarizability of Donor-Acceptor-Substituted Polyenes on the Ground-State Polarization and Bond Length Alternation

1994 ◽  
Vol 116 (6) ◽  
pp. 2619-2620 ◽  
Author(s):  
Grant Bourhill ◽  
Jean-Luc Bredas ◽  
Lap-Tak Cheng ◽  
Seth R. Marder ◽  
Fabienne Meyers ◽  
...  
Keyword(s):  
Bond Length ◽  
Ground State ◽  
First Hyperpolarizability ◽  
Experimental Demonstration ◽  
Bond Length Alternation ◽  
Donor Acceptor ◽  
Substituted Polyenes

Confirming the relationship between first hyperpolarizability and the bond length alternation coordinate for merocyanine dyes

2017 ◽  
Vol 146 (22) ◽  
pp. 224505 ◽  
Author(s):  
Idney Brandão ◽  
Leandro R. Franco ◽  
Tertius L. Fonseca ◽  
Marcos A. Castro ◽  
Herbert C. Georg
Keyword(s):  
Bond Length ◽  
First Hyperpolarizability ◽  
Bond Length Alternation ◽  
Merocyanine Dyes ◽  
The Relationship

Large Quadratic Hyperpolarizabilities with Donor–Acceptor Polyenes Exhibiting Optimum Bond Length Alternation: Correlation Between Structure and Hyperpolarizability

1997 ◽  
Vol 3 (7) ◽  
pp. 1091-1104 ◽  
Author(s):  
M. Blanchard-Desce ◽  
V. Alain ◽  
P. V. Bedworth ◽  
S. R. Marder ◽  
A. Fort ◽  
...  
Keyword(s):  
Bond Length ◽  
Bond Length Alternation ◽  
Donor Acceptor

Structure-Property Relationships in Organic Nonlinear Optical Materials

1999 ◽  
Vol 561 ◽  
Author(s):  
Eric M. Breitung ◽  
Robert J. McMahon
Keyword(s):  
Bond Length ◽  
Optical Materials ◽  
Nonlinear Optical ◽  
Conformational Flexibility ◽  
Nonlinear Optical Materials ◽  
Structure Property ◽  
Bond Length Alternation ◽  
Design And Synthesis ◽  
Nlo Materials ◽  
Donor Acceptor

ABSTRACTTuning the degree of bond-length alternation in organic nonlinear optical materials is a powerful paradigm for the design of organic materials with large molecular hyperpolarizabilities (β). Several research groups have employed this paradigm in the design and synthesis of NLO materials incorporating donor-acceptor polyenes. Increased bond-length alternation in polyenes leads to decreased barriers to rotation about C=C bonds and, hence, increased conformational flexibility. Since the degree of bond-length alternation is solvent dependent, so is the degree of conformational flexibility. In an effort to probe the influence of conformational flexibility on NLO response, we synthesized a series of simple donor-acceptor polyenes that are either conformationally flexible (la, 2a, 3a) or rigid (1b, 2b, 3b). For each pair of molecules ZINDO sum-over-states calculations predict a larger value of βμ, for the conformationally flexible isomer, but EFISH measurements (CHCl3) display mixed results. Various explanations for this behavior will be considered.

Direct observation of reduced bond-length alternation in donor/acceptor polyenes

1993 ◽  
Vol 115 (6) ◽  
pp. 2524-2526 ◽  
Author(s):  
Seth R. Marder ◽  
Joseph W. Perry ◽  
Bruce G. Tiemann ◽  
Christopher B. Gorman ◽  
Sandra Gilmour ◽  
...  
Keyword(s):  
Bond Length ◽  
Direct Observation ◽  
Bond Length Alternation ◽  
Donor Acceptor

scholarly journals Breakdown of the first hyperpolarizability/bond-length alternation parameter relationship

2010 ◽  
Vol 107 (38) ◽  
pp. 16453-16458 ◽  
Author(s):  
N. A. Murugan ◽  
J. Kongsted ◽  
Z. Rinkevicius ◽  
H. Agren
Keyword(s):  
Bond Length ◽  
First Hyperpolarizability ◽  
Bond Length Alternation

A New Class of Cyanine-like Dyes with Large Bond-Length Alternation

2009 ◽  
Vol 131 (17) ◽  
pp. 6099-6101 ◽  
Author(s):  
Shino Ohira ◽  
Joel M. Hales ◽  
Karl J. Thorley ◽  
Harry L. Anderson ◽  
Joseph W. Perry ◽  
...  
Keyword(s):  
Bond Length ◽  
Bond Length Alternation ◽  
New Class

scholarly journals An investigation of the interrelationships between linear and nonlinear polarizabilities and bond-length alternation in conjugated organic molecules

1993 ◽  
Vol 90 (23) ◽  
pp. 11297-11301 ◽  
Author(s):  
C B Gorman ◽  
S R Marder
Keyword(s):  
Bond Length ◽  
Organic Molecules ◽  
Computational Method ◽  
Bond Length Alternation ◽  
Conjugated Molecules ◽  
Conjugated Organic Molecules ◽  
Alpha Beta ◽  
Relationship Of ◽  
The Relationship ◽  
Observable Parameter

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.

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