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[C(NH2)2NHNO2][C(NH2)3](NO3)2: A Mixed Organic Cationic Hybrid Nitrate with an Unprecedented Nonlinear-Optical-Active Unit.
Yan, Dong; Ren, Meng-Meng; Liu, Qian; Mao, Fei-Fei; Ma, Yu; Tang, Ru-Ling; Huang, Hongbo; Zhang, Bingbing; Zhang, Xiu-Du; Li, Shu-Fang.
Afiliação
  • Yan D; Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China.
  • Ren MM; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
  • Liu Q; Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China.
  • Mao FF; Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China.
  • Ma Y; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
  • Tang RL; College of Science, Nanjing Agricultural University, Nanjing 210095, P. R. China.
  • Huang H; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
  • Zhang B; School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
  • Zhang XD; College of Chemistry and Environmental Science, Hebei University, Baoding, Hebei 071002, China.
  • Li SF; College of Chemistry and Environmental Science, Hebei University, Baoding, Hebei 071002, China.
Inorg Chem ; 62(12): 4757-4761, 2023 Mar 27.
Article em En | MEDLINE | ID: mdl-36916671
ABSTRACT
We herein report a mixed organic cationic hybrid nitrate, namely, [C(NH2)2NHNO2][C(NH2)3](NO3)2 (1). It was successfully achieved via combining three different planar groups [(C(NH2)2NHNO2]+, C(NH2)3+, and NO3-. First-principles calculations confirm that the [(C(NH2)2NHNO2]+ group is an excellent cationic nonlinear-optical (NLO)-active unit. The title compound exhibits a moderate second-harmonic-generation (SHG) response (1.5 × KDP), a wide band gap (3.58 eV), and a suitable birefringence of 0.071 at 550 nm. Theoretical calculations indicate that the synergy effect between the [(C(NH2)2NHNO2]+ and C(NH2)3+ groups dominates the SHG process.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Inorg Chem Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Revista: Inorg Chem Ano de publicação: 2023 Tipo de documento: Article