TY - JOUR
T1 - Theoretical design of molecular photo- and acido-triggered non-linear optical switches
AU - Mançois, Fabien
AU - Rodriguez, Vincent
AU - Pozzo, Jean Luc
AU - Champagne, Benoît
AU - Castet, Frédéric
PY - 2006/8/18
Y1 - 2006/8/18
N2 - This theoretical Letter addresses the non-linear optical properties of a series of substituted dimethylaminophenylethylenyl-indolino[2,1-b]oxazolidine derivatives, which were recently shown to behave as multiaddressable NLO switches. The influence of the chemical nature of the substituent on the static and dynamic first hyperpolarizability, as well as of its grafting location, is investigated by using various semi-empirical and high level ab initio schemes. It is found that a para-substitution on the indolinic skeleton with a [(N,N-1,3-dimethylpyrimidine-2,4,6-trione)-5-yl]methylidenyl group should increase by 75% the efficiency of the switches.
AB - This theoretical Letter addresses the non-linear optical properties of a series of substituted dimethylaminophenylethylenyl-indolino[2,1-b]oxazolidine derivatives, which were recently shown to behave as multiaddressable NLO switches. The influence of the chemical nature of the substituent on the static and dynamic first hyperpolarizability, as well as of its grafting location, is investigated by using various semi-empirical and high level ab initio schemes. It is found that a para-substitution on the indolinic skeleton with a [(N,N-1,3-dimethylpyrimidine-2,4,6-trione)-5-yl]methylidenyl group should increase by 75% the efficiency of the switches.
UR - http://www.scopus.com/inward/record.url?scp=33746541060&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2006.06.011
DO - 10.1016/j.cplett.2006.06.011
M3 - Article
AN - SCOPUS:33746541060
SN - 0009-2614
VL - 427
SP - 153
EP - 158
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -