Theoretical study of Cr–Cr bonding in [Cp2Cr2(CO)2(µ-PMe2)2], [Cp2Cr2(CO)4(µ-H) (µ-PMe2)], and [Cp*3Cr3(CO)3(μ-S) (μ-PMe2)] complexes by QTAIM theory

Noorhan Ali Hamza, Muhsen Abood Muhsen Al‐Ibadi

2023Transition Metal Chemistry13 citationsDOI

Topics & Concepts

ChemistryChromiumAtoms in moleculesOrganometallic chemistryDelocalized electronLigand (biochemistry)Density functional theoryCrystallographyMetalAtom (system on chip)Electron localization functionMoleculeComputational chemistryElectronCrystal structurePhysicsQuantum mechanicsBiochemistryComputer scienceEmbedded systemOrganic chemistryReceptorCarbon dioxide utilization in catalysisCrystallography and molecular interactionsMetal-Organic Frameworks: Synthesis and Applications

Theoretical study of Cr–Cr bonding in [Cp*2Cr2(CO)2(µ-PMe2)2], [Cp*2Cr2(CO)4(µ-H) (µ-PMe2)], and [Cp*3Cr3(CO)3(μ-S) (μ-PMe2)] complexes by QTAIM theory

Topics & Concepts

Theoretical study of Cr–Cr bonding in [Cp2Cr2(CO)2(µ-PMe2)2], [Cp2Cr2(CO)4(µ-H) (µ-PMe2)], and [Cp*3Cr3(CO)3(μ-S) (μ-PMe2)] complexes by QTAIM theory