Nonlinear optical properties of alkalides Li(super +)(calix[4]pyrrole)M(super -) (M=Li, Na, and K): Alkali anion atomic number dependence

A new type of alkalide compounds, Li(super +)(calix[4]pyrrole)M(super -) (M=Li, Na, K), which might be stable at room temperature, is designed. It is found that this kind of compound with the alkali anion possesses the considerably larger first hyperpolarizability.