Organic-inorganic hybrid material;
Chemical synthesis;
Crystal structure;
Vibrational study and optical absorption;
DENSITY-FUNCTIONAL THEORY;
ELECTRICAL-PROPERTIES;
MOLECULAR-STRUCTURE;
FT-IR;
VIBRATIONAL-SPECTRA;
PHASE-TRANSITIONS;
SINGLE-CRYSTALS;
DFT CALCULATION;
LUMO ANALYSIS;
NLO CRYSTAL;
D O I:
10.1016/j.physe.2016.06.013
中图分类号:
TB3 [工程材料学];
学科分类号:
0805 ;
080502 ;
摘要:
The chemical preparation, crystal structure, spectroscopic investigations and optial features are given for a novel organic-inorganic hybrid material [C8H10NO](2)CoCl4.The compound is, crystallized in the orthorhombic space group Cmca, with the following unit cell parameters: a=19.461 (2) angstrom, b=15.523(2) angstrom, c=13.7436(15) angstrom, and Z=8. The atomic arrangement shows an alternation of organic and inorganic layers along the b-axis. The cohesion between these entities is performed by N-H...Cl and N-H...O hydrogen bonds and pi-pi stacking interactions. Infrared and Raman spectra at room temperature are recorded in the 4000-400 and 4000-0 cm(-1) frequency regions, respectively and analyzed on the basis of literature data. This study confirms the presence of the organic cation [C8H10NO](+) and of the [CoCI4](2-) anion. UV-vis spectroscopy results showed the indirect, transition with band gap energy 2.98 eV. (C) 2016 Published by Elsevier B.V.
机构:
South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Chen, Ke-Lai
Xu, Yi-Lin
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Xu, Yi-Lin
Yin, Ke
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Yin, Ke
Cai, Yu
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Cai, Yu
Chen, Yan-Lin
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Chen, Yan-Lin
He, Yong-Zhen
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
He, Yong-Zhen
Yu, Jia-Yu
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Yu, Jia-Yu
Zheng, Wen-Xu
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China
Zheng, Wen-Xu
Ni, Chun-Lin
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South China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R ChinaSouth China Agr Univ, Coll Mat & Energy, Key Lab Biobased Mat & Energy, Minist Educ, Guangzhou 510642, Peoples R China