Benhassine, Anfel published the artcileCobalt(II) complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: synthesis, crystal structure, spectroscopy, DFT calculations, and antioxidant activity, SDS of cas: 7467-35-8, the publication is Journal of Coordination Chemistry (2018), 71(2), 311-328, database is CAplus.
The authors present a combined exptl. and computational study of two new cobalt(II) complexes as [Co(Hmbm)2(OAc)2] and [Co(Hmbm)2(H2O)2]Cl2 (Hmbm = (1-methyl-1H-benzo[d]imidazol-2-yl)methanol). Both complexes were characterized by FTIR and UV-visible spectroscopy, elemental anal., and single-crystal x-ray crystallog. The mol. geometries, electronic transitions, and vibrational frequencies of the two complexes and the ligand (Hmbm) in the ground state were calculated using global hybrid (B3LYP) and range-separated hybrid (CAM-B3LYP) d. functional. Qual. description of excited states and charge transfer character of electronic transitions states were carried out by plotting the Natural Transition Orbitals (NTOs) for main states, and were assigned to LMCT. The ligand and its Co(II) complexes were evaluated for their potential as DPPH radical scavengers.
Journal of Coordination Chemistry published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C9H10N2O, SDS of cas: 7467-35-8.
Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem