On the Second-Order Nonlinear Optical Structure−Property Relationships of Metal Chromophores

1999 ◽  
Vol 38 (2) ◽  
pp. 287-289 ◽  
Author(s):  
Karel Base ◽  
Mark T. Tierney ◽  
Alain Fort ◽  
Jacques Muller ◽  
Mark W. Grinstaff
Keyword(s):  
Nonlinear Optical ◽  
Second Order ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Optical Structure

The electronic structure and second-order nonlinear optical properties of donor-acceptor acetylenes: a detailed investigation of structure-property relationships

1991 ◽  
Vol 113 (20) ◽  
pp. 7658-7666 ◽  
Author(s):  
Albert E. Stiegman ◽  
Eva Graham ◽  
Kelly J. Perry ◽  
Lutfur R. Khundkar ◽  
L. T. Cheng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Donor Acceptor

Structure/property relationships for molecular second-order nonlinear optics

1992 ◽  
Author(s):  
Seth R. Marder ◽  
Lap-Tak Cheng ◽  
David N. Beratan
Keyword(s):  
Nonlinear Optics ◽  
Second Order ◽  
Structure Property ◽  
Structure Property Relationships

scholarly journals Combining Defects in a Single Nanographene: A Fully Helical Saddle Ribbon

Synlett ◽  
2019 ◽  
Vol 30 (09) ◽  
pp. 997-1002 ◽  
Author(s):  
Carlos Cruz ◽  
Silvia Castro-Fernández ◽  
Ermelinda Maçôas ◽  
Alba Millán ◽  
Araceli Campaña
Keyword(s):  
Organic Synthesis ◽  
Carbon Nanostructures ◽  
Nonlinear Optical ◽  
Photophysical Properties ◽  
Structure Property ◽  
Chiroptical Properties ◽  
Curved Structures ◽  
Structure Property Relationships ◽  
Linear And Nonlinear ◽  
Controlled Preparation

The controlled preparation of well-defined distorted nanographenes by a bottom-up approach based on organic synthesis permits the direct establishment of unprecedented structure–property relationships in carbon nanostructures. The simultaneous incorporation of various defects in nanographenes affords highly curved structures with novel or enhanced photophysical properties. In this sense, we recently reported a fully helical and saddle-shaped nanographene ribbon containing the first undecabenzo[7]helicene unit. Both its linear and nonlinear optical properties are enhanced in comparison with those of other partially π-extended [7]helicenes. Moreover, the new superhelicene exhibits the highest emission dissymmetry factor (g lum) reported to date for a homochiral nanographene. The combination of both nonlinear and chiroptical properties in nanographenes opens up new possible future applications for those distorted nanostructures.1 Introduction2 Synthesis of Embedded Seven-Membered Rings3 Combination of Defects: Seven-Membered Rings and π-Extended Helicenes4 Conclusions and Outlook

Structure−Property Relationships in the Nonlinear Optical Crystal KTiOPO4Investigated Using NMR and ab Initio DFT Calculations

2004 ◽  
Vol 108 (14) ◽  
pp. 4324-4331 ◽  
Author(s):  
P. A. Thomas ◽  
A. Baldwin ◽  
R. Dupree ◽  
P. Blaha ◽  
K. Schwarz ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Nonlinear Optical ◽  
Structure Property ◽  
Nonlinear Optical Crystal ◽  
Structure Property Relationships ◽  
Optical Crystal ◽  
Ab Initio Dft

THEORETICAL STUDY ON THE SECOND-ORDER NONLINEAR OPTICAL PROPERTIES OF C,B-SUBSTITUTED CARBORANE CONJUGATED DERIVATIVES

2012 ◽  
Vol 11 (05) ◽  
pp. 1121-1133 ◽  
Author(s):  
YAN LIU ◽  
GUOCHUN YANG ◽  
SHILING SUN ◽  
FEI YU ◽  
ZHONGMIN SU ◽  
...  
Keyword(s):  
Density Functional ◽  
Nonlinear Optical ◽  
Transition Energy ◽  
Energy Transition ◽  
Second Order ◽  
Orbital Energy ◽  
First Hyperpolarizability ◽  
Structure Property ◽  
Functional Theory ◽  
Nlo Materials

To systemically investigate structure–property relationship and design excellent nonlinear optical (NLO) material, the second-order NLO properties of a series of C,B -substituted carborane conjugated derivatives have been studied by density functional theory (DFT). The static first hyperpolarizabilities (βtot) were calculated at the M05-2X/6-31+G* level of theory. The results show that the βtot values gradually increase with the increasing of the conjugation length, especially the introduction of ferrocene. It is found that 1,3-benzo-o-carborane-ferrocene (2h) has the largest first hyperpolarizability (55.968 × 10-30 esu), which is 150 times larger than that of benzocarborane (1a). This means that the static first hyperpolarizabilities of the studied compounds can be substantially increased by structural modification. A basis for understanding the origin of these large NLO responses is proposed based on consideration of the frontier molecular orbitals (FMOs), orbital energy, transition energy of the studied compounds, and the two-state mode. The lower transition energy and larger oscillator strength play an important role in increasing the first hyperpolarizability value. This study may evoke possible ways to design preferable NLO materials.

Structure property relationships for the nonlinear optical response of fullerenes

1994 ◽  
Author(s):  
Kailash C. Rustagi ◽  
Lavanya M. Ramaniah ◽  
Selvakumar V. Nair
Keyword(s):  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Structure Property ◽  
Structure Property Relationships

Approaches to understanding structure—property relationships in nonlinear optical materials

1991 ◽  
Vol 109 (1-4) ◽  
pp. 353-360 ◽  
Author(s):  
R.H. Jarman ◽  
M. Munowitz ◽  
J.F. Harrison
Keyword(s):  
Optical Materials ◽  
Nonlinear Optical ◽  
Nonlinear Optical Materials ◽  
Structure Property ◽  
Structure Property Relationships
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