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Proton transfer reactions for methanol and water containing manganese ion complexes
Luleå University of Technology, Department of Engineering Sciences and Mathematics.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
2011 (English)In: Journal of the American Society for Mass Spectrometry, ISSN 1044-0305, E-ISSN 1879-1123, Vol. 22, no 12, 2276-2281 p.Article in journal (Refereed) Published
Abstract [en]

Under considerations in the current study are reactions of the type [Mn(LOH) 2] 2+ → [Mn(LO)] + + LOH 2 +, where the ligand LOH represents water or/and methanol. Preferential proton transfer reactions and loss of any ligand fragments are discussed in the light of ligand polarizability, dipole moment, dissociation energy, proton affinity, differences in ligand-ion ionization energy, and ion radii. The results indicate the proton affinity and dissociation energy of the O-H bond are more important for the overall proton transfer reaction than differences in the first ionization energy of the ligand and the second ionization energy of the metal ion.

Place, publisher, year, edition, pages
2011. Vol. 22, no 12, 2276-2281 p.
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-12312DOI: 10.1007/s13361-011-0260-3Local ID: b6cc69c7-de69-4f8f-9585-b2923cc32190OAI: oai:DiVA.org:ltu-12312DiVA: diva2:985262
Note
Validerad; 2012; 20120215 (ysko)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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