Beryllium (II) Chloride Complexes with Phosphoryl Ligands: A DFT Study
K. Essalah, M. A. K. Sanhoury, M. T. Ben Dhia & M. R. Khaddar · International Research Journal of Pure and Applied Chemistry · 2021
Beryllium complexes of the types [BeCl2L2] (L = (Me2N)3P(O) (1), (Me2N)2P(O)F (2), Me2NP(O)F2 (3) and P(O)F3 (4)) have been theoretically studied by means of DFT geometry optimization and NMR chemical shift calculations (B3LYP/6-31G(d)). A good correlation was found between calcu...
Open access
Research Article
10.9734/irjpac/2021/v22i130366