The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperp...The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolariza-bilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpo-larizability 0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the 0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the 0 value.展开更多
基金the National Natural Science Foundation of China (Nos. 20273023 and 90101026) and the Kay Laboratory for Supramolecular Structure and Material of Ji
文摘The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolariza-bilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpo-larizability 0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the 0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the 0 value.
