文摘
Nitrates have long been ignored for practical uses as nonlinear optical (NLO) materials because they are usually very easy to dissolve in water; despite this, the π-conjugated [NO<sub>3sub>]<sup>−sup> is among the most desirable NLO-active structural units. The cooperation of three structural chromophores, namely, Bi<sub>3sub>O<sub>6sub>OH short chains with 6s<sup>2sup> lone pair electrons, distorted TeO<sub>6sub> octahedra with d<sup>10sup> electrons, and π-conjugated [NO<sub>3sub>]<sup>−sup> triangles, generates a new nitrate NLO material, Bi<sub>3sub>TeO<sub>6sub>OH(NO<sub>3sub>)<sub>2sub>, which exhibits an enhanced phase-matchable NLO response of three times that of KH<sub>2sub>PO<sub>4sub> (3×KH<sub>2sub>PO<sub>4sub>), exceeding those of most nitrate NLO materials. Remarkably, the new material did not show obvious weight loss and degeneration of NLO response after being dipped in de-ionized water for 24 h, indicating that it is highly resistant to water. Theoretical calculations reveal that foreign water molecules cannot stably stay in the crystal lattice of Bi<sub>3sub>TeO<sub>6sub>OH(NO<sub>3sub>)<sub>2sub>. These findings highlight the introduction of diverse chromophores into the nitrate systems as an effective approach for developing practical nitrate NLO materials that are of high water-resistance and good optical performance.