Based on the principles of molecular engineering, a series of new chromopho
res with high second-order nonlinear optical (NLO) activities have been des
igned for achieving a trade-off of the nonlinearity-transparency-thermal st
ability. The NLO properties of these chromophores have been investigated th
eoretically by employing the AM1/Finite Field approach. It is found that th
e calculated mu beta(0) values of some designed chromophores can reach the
magnitude of 10(-45) esu, and the highest decomposition temperature T-d can
be as high as 377 degrees C, the highest glass transition temperature T-g
of their donor-embedded addition-type polymides can be as high as 324 degre
es C.