Supplementary Material

See the supplementary material for (1) geometric parameters of 4,5-dicyanoimidazole derivatives in gas phase and in protic and aprotic solvents; (2) partial charges of group of atoms; (3) first hyperpolarizability in dichloromethane for two standard wavelengths 1064 and 1907nm; (4) radial distribution functions between nitrogens of the molecules and the formamide nitrogen, between nitrogens of molecules and the oxygen of methanol and between nitrogens of molecules and the oxygen of water.

请参阅补充材料，其中包含（1）4,5-二氰基咪唑衍生物在气相及质子性溶剂和非质子性溶剂中的几何参数；（2）原子群的部分电荷；（3）在二氯甲烷中对两个标准波长1064和1907nm下的首次超极化率；（4）分子中氮原子与甲酰胺氮原子、分子中氮原子与甲醇氧原子以及分子中氮原子与水氧原子之间的径向分布函数。