Vibrational Properties and DFT Calculations of Perovskite-Type Methylhydrazinium Manganese Hypophosphite

被引:15
作者
Ciupa-Litwa, Aneta [1 ]
Ptak, Maciej [1 ]
Kucharska, Edyta [2 ]
Hanuza, Jerzy [1 ]
Maczka, Miroslaw [1 ]
机构
[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50422 Wroclaw, Poland
[2] Univ Econ & Business, Fac Prod Engn, Dept Bioorgan Chem, 118-120 Komandorska Str, PL-53345 Wroclaw, Poland
来源
MOLECULES | 2020年 / 25卷 / 21期
关键词
hypophosphite; methylhydrazinium cation; DFT; Raman; IR; HYBRID PEROVSKITES; SPECTRA; MODES;
D O I
10.3390/molecules25215215
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Recently discovered hybrid perovskites based on hypophosphite ligands are a promising class of compounds exhibiting unusual structural properties and providing opportunities for construction of novel functional materials. Here, we report for the first time the detailed studies of phonon properties of manganese hypophosphite templated with methylhydrazinium cations ([CH3NH2NH2][Mn(H2PO2)(3)]). Its room temperature vibrational spectra were recorded for both polycrystalline sample and a single crystal. The proposed assignment based on Density Functional Theory (DFT) calculations of the observed vibrational modes is also presented. It is worth noting this is first report on polarized Raman measurements in this class of hybrid perovskites.
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页数:10
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