(C <sub>6</sub> H <sub>7</sub> N <sub>2</sub> O)NO <sub>3</sub> : π-Conjugation-Driven Synergistic Enhancement of Second-Harmonic Generation and Birefringence

Nonlinear optical (NLO) crystal materials, endowed with unique photoelectric conversion properties, have garnered widespread utilization in laser science and technology. Herein, an ultraviolet (UV) NLO crystal (C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O)NO<sub>3</sub>, constructed from the π-conjugated organic cation [C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O]<sup>+</sup> and the inorganic anion [NO<sub>3</sub>]<sup>-</sup>, was synthesized via a π-conjugation-driven synergistic strategy. The crystal exhibits a large second-harmonic generation (SHG) response (2.75 × KH<sub>2</sub>PO<sub>4</sub> (KDP)), a large birefringence (0.271@546 nm), and excellent physicochemical stability. Combined structural characterization and computational studies demonstrate that the exceptional performance stems from synergistic interactions between the π-conjugated structural units [C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O]<sup>+</sup> and [NO<sub>3</sub>]<sup>-</sup>. This work establishes a promising strategy for developing excellent organic-inorganic hybrid NLO materials.

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Publication Details

Journal
Inorganic Chemistry
Published
2026-01-26
DOI
https://doi.org/10.1021/acs.inorgchem.5c06032
Primary Topic
Crystal Structures and Properties
Type
article
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(C 6 H 7 N 2 O)NO 3 : π-Conjugation-Driven Synergistic Enhancement of Second-Harmonic Generation and Birefringence

Daojiang Gao, Zeqiao Yin, Xuehua Dong, Liling Cao et al.
Inorganic Chemistry
Crystal Structures and Properties
article

(C 6 H 7 N 2 O)NO 3 : π-Conjugation-Driven Synergistic Enhancement of Second-Harmonic Generation and Birefringence

Daojiang Gao, Zeqiao Yin, Xuehua Dong, Liling Cao, Yuqiao Zhou, Yongpan Lin, Yue Zhang
article en

Abstract

Nonlinear optical (NLO) crystal materials, endowed with unique photoelectric conversion properties, have garnered widespread utilization in laser science and technology. Herein, an ultraviolet (UV) NLO crystal (C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O)NO<sub>3</sub>, constructed from the π-conjugated organic cation [C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O]<sup>+</sup> and the inorganic anion [NO<sub>3</sub>]<sup>-</sup>, was synthesized via a π-conjugation-driven synergistic strategy. The crystal exhibits a large second-harmonic generation (SHG) response (2.75 × KH<sub>2</sub>PO<sub>4</sub> (KDP)), a large birefringence (0.271@546 nm), and excellent physicochemical stability. Combined structural characterization and computational studies demonstrate that the exceptional performance stems from synergistic interactions between the π-conjugated structural units [C<sub>6</sub>H<sub>7</sub>N<sub>2</sub>O]<sup>+</sup> and [NO<sub>3</sub>]<sup>-</sup>. This work establishes a promising strategy for developing excellent organic-inorganic hybrid NLO materials.

Inorganic ChemistryVol. 65(5)
Sichuan University (CN), Sichuan Normal University (CN)
Industry, innovation and infrastructure
Openalex Percentile: Top 77%
Crystal Structures and Properties
DOISourceOpenAlex
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(C <sub>6</sub> H <sub>7</sub> N <sub>2</sub> O)NO <sub>3</sub> : π-Conjugation-Driven Synergistic Enhancement of Second-Harmonic Generation and Birefringence — Daojiang Gao, Zeqiao Yin, et al. · Inorganic Chemistry (2026) | TGRS Research Map | TGRS