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

Molecules

Edyta Kucharska¹  Mirosław Mączka²  Jerzy Hanuza²  Aneta Ciupa-Litwa²  Maciej Ptak² 

[1] Department of Bioorganic Chemistry, Faculty of Production Engineering, University of Economics and Business, 118/120 Komandorska Street, 53-345 Wrocław, Poland;Institute of Low Temperature and Structure Research, Polish Academy of Sciences, 50-422 Wrocław, Poland;

关键词: hypophosphite;    methylhydrazinium cation;    DFT;    Raman;    IR;   

DOI  :  10.3390/molecules25215215

来源: DOAJ

【 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.

【 授权许可】

Unknown