title: Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.
abstract: We describe the synthesis of novel mononuclear and dinuclear copper complexes and an investigation of their behaviour in solution using mass spectrometry (ESI-MS and ESI-MS/MS) and in the solid state using X-ray crystallography. The complexes were synthesized from two widely used diacetylpryridine (dap) ligands, i.e. 2,6-diacetylpyridinebis(benzoic acid hydrazone) and 2,6-diacetylpyridinebis(2-aminobenzoic acid hydrazone). Theoretical calculations (DFT) were used to predict the complex geometries of these new structures, their equilibrium in solution and energies associated with the transformations.
authors.affiliation: Laboratory of Medicinal and Technological Chemistry, University of Brasilia (IQ-UnB), Campus Universitário Darcy Ribeiro, Brasilia, DF, Brazil. brenno.ipi@gmail.com
authors.forename: Brenno A D
authors.initials: BA
authors.lastname: Neto
authors.forename: Barbara F L
authors.initials: BF
authors.lastname: Viana
authors.forename: Thyago S
authors.initials: TS
authors.lastname: Rodrigues
authors.forename: Priscila M
authors.initials: PM
authors.lastname: Lalli
authors.forename: Marcos N
authors.initials: MN
authors.lastname: Eberlin
authors.forename: Wender A
authors.initials: WA
authors.lastname: da Silva
authors.forename: Heibbe C B
authors.initials: HC
authors.lastname: de Oliveira
authors.forename: Claudia C
authors.initials: CC
authors.lastname: Gatto
mesh_terms: D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005740:Gases / Q000737:chemistry*; D006835:Hydrazones / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009942:Organometallic Compounds / Q000737:chemistry*; D011725:Pyridines / Q000737:chemistry*; D011789:Quantum Theory; D012996:Solutions; D021241:Spectrometry, Mass, Electrospray Ionization; D053719:Tandem Mass Spectrometry; D013816:Thermodynamics
chemical_list: D005740:Gases; D006835:Hydrazones; D009942:Organometallic Compounds; D011725:Pyridines; D012996:Solutions; D003300:Copper; C023666:pyridine