Crystal structure and DFT calculations of methanol {E-N′-(2-hydroxybenzlidene)benzohydrazido}dioxidomolybdenum (VI) complex

Iran Sheikhshoaie, Helen Stoeckli-Evans, Alireza Akbari, S. Ali Yasrebi, S. Yousef Ebrahimipour
2012 Arabian Journal of Chemistry  
The crystal and molecular structure of methanol {E-N 0 -(2-hydroxybenzlidene)benzohyd-razido}dioxidomolybdenum (VI) was determined by single crystal X-ray diffraction. B3LYP/DZP basis set theoretical calculations nicely reproduce the X-ray experimental geometry. The obtained results are discussed in connection with the electronic and structural properties of the compound.
doi:10.1016/j.arabjc.2010.08.010 fatcat:pk4o4zsb7bgyxjbj4xkttreksu