Synthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes

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dc.contributor.authorMcMillion, Noah D.
dc.contributor.authorBruch, Quinton J.
dc.contributor.authorChen, Chunhsing
dc.contributor.authorHasanayn, Faraj
dc.contributor.authorMiller, Alexander J.M.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.facultyFaculty of Arts and Sciences (FAS)
dc.contributor.institutionAmerican University of Beirut
dc.date.accessioned2025-01-24T11:22:33Z
dc.date.available2025-01-24T11:22:33Z
dc.date.issued2023
dc.description.abstractSeven-coordinate rhenium oxo complexes supported by a tetradentate bipyridine carboxamide/carboxamidate ligand are reported. The neutral dicarboxamide H2Phbpy-da ligand initially coordinates in an L4 (ONNO) fashion to an octahedral rhenium oxo precursor, yielding a seven-coordinate rhenium oxo complex. Subsequent deprotonation generates a new oxo complex featuring the dianionic (L2X2) carboxamidate (NNNN) form of the ligand. Computational studies provide insight into the relative stability of possible linkage isomers upon deprotonation. Structural studies and molecular orbital theory are employed to rationalize the relative isomer stability and provide insight into the rhenium-oxo bond order. © 2023 The Royal Society of Chemistry.
dc.identifier.doihttps://doi.org/10.1039/d3dt02617e
dc.identifier.eid2-s2.0-85174550442
dc.identifier.pmid37814941
dc.identifier.urihttp://hdl.handle.net/10938/25531
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.relation.ispartofDalton Transactions
dc.sourceScopus
dc.subjectComputation theory
dc.subjectIsomers
dc.subjectMolecular orbitals
dc.subjectPlants (botany)
dc.subjectRhenium compounds
dc.subjectSynthesis (chemical)
dc.subjectBipyridines
dc.subjectBonding analysis
dc.subjectCarboxamides
dc.subjectComputational studies
dc.subjectLinkage isomers
dc.subjectOxo complexes
dc.subjectRelative stabilities
dc.subjectStructural studies
dc.subjectSynthesis analysis
dc.subjectTetradentate
dc.subjectArticle
dc.subjectDeprotonation
dc.subjectIsomer
dc.subjectSynthesis
dc.subjectTheoretical study
dc.subjectLigands
dc.titleSynthesis and bonding analysis of pentagonal bipyramidal rhenium carboxamide oxo complexes
dc.typeArticle

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