Electronic structures, bonding aspects and photophysical properties of N-heterocyclic carbene manganese complexes: DFT and TDDFT exploration
Mukhtar Ahmed, Manjeet Kumar, Subodh, Sumit Sahil Malhotra, Abdullah Saad Alsubaie, Manoj Kumar Gupta, Azaj Ansari
Topics & Concepts
Time-dependent density functional theoryManganeseCarbeneChemistryDensity functional theoryPhotochemistryComputational chemistryOrganic chemistryCatalysisOrganic Light-Emitting Diodes ResearchN-Heterocyclic Carbenes in Organic and Inorganic ChemistryMagnetism in coordination complexes