resumo
Ru(II) binuclear complexes with the general formula [(Ru[9]aneS(3)Cl)(2)(mu L)](PF6)(2), where mu L = 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine (bptz), 2.3-bis(2-pyridyl)pyrazine (dpp), and 2,2'-bipyrimidine (bpym), have been studied by electrospray mass spectrometry (ESI/MS) and electrospray mass spectrometry/mass spectrometry (ESI/MS/MS), in the positive ion mode, to investigate their fragmentation patterns in relation to their structural and spectroscopic properties and also to find out the differences with the gas-phase fragmentations patterns of their mononuclear counterparts. We observed that the presence of two connected metal centres leads to the formation of specific ionic species, in particular, for the compound with bptz, gas-phase formation of fluoride anion adducts. These species can be related to the electronic structure of the bptz compound, in particular to its LUMOs (lowest unoccupied molecular orbitals) that lye low than the LUMOs of the other two compounds. (C) 2008 Elsevier B.V. All rights reserved.
palavras-chave
QUADRUPOLE ION-TRAP; ELECTROSPRAY MASS-SPECTROMETRY; DONOR LIGANDS; DISSOCIATION; SYSTEMS; ELECTROCHEMISTRY; IONIZATION; CELL
categoria
Physics; Spectroscopy
autores
Santana-Marquesa, MG; Madureira, J; Santos, TM; Felix, V
nossos autores
Teresa Margarida dos Santos
Professor Auxiliar
Vítor Félix
Professor Associado com AgregaçãoGrupos
1 - Nanomateriais inorgânicos funcionais e híbridos orgânico-inorgânico
6 - simulação computacional e modelação multi-escala
agradecimentos
The authors wish to thank CICECO, University of Aveiro and Fundacao para a Ciencia e Tecnologia (FCT) through POCTI/42883/QI/2001 for funding.