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On the Solvation of the Mercury(I) Ion. A Structural, Vibration Spectroscopic and Quantum Chemical Study
KTH, Superseded Departments, Chemistry.ORCID iD: 0000-0001-6737-8233
KTH, Superseded Departments, Chemistry.
2004 (English)In: Inorganica Chimica Acta, ISSN 0020-1693, E-ISSN 1873-3255, Vol. 357, no 9, 2624-2634 p.Article in journal (Refereed) Published
Abstract [en]

The structure of the solvated mercury(I) ion in solvents such as water, methanol, dimethylsulfoxide, N,N-dimethylpropyleneurea, acetonitrile and pyridine solution has been studied by means of EXAFS and/or large angle X-ray scattering (LAXS). Raman spectroscopy has been used for the determination of the Hg-Hg stretching frequencies. The Hg-Hg bond length increases with increasing solvating ability of the solvent, while the stretching frequency appears to be almost invariant. The results of quantum chemical calculations indicate a significant influence on the Hg-Hg bond from solvation. The structure of solid anhydrous mercury(I) trifluoromethanesulfonate, Hg 2(CF3SO3)2 (1), has been determined by powder diffraction methods. The structure comprises of discrete molecules, where each mercury binds to an oxygen atom in the anion, forming an almost linear O-Hg-Hg-O entity; the Hg-Hg-O angle is 173°and the Hg-Hg and Hg-O bond lengths are 2.486(6) and 2.099(22) Å, respectively.

Place, publisher, year, edition, pages
2004. Vol. 357, no 9, 2624-2634 p.
Keyword [en]
Ab initio calculations, EXAFS, Large angle X-ray scattering, Powder diffraction, Solvation models
National Category
Chemical Sciences
URN: urn:nbn:se:kth:diva-5107DOI: 10.1016/j.ica.2004.03.010ISI: 000222745900025ScopusID: 2-s2.0-3042670197OAI: diva2:7872
QC 20100924Available from: 2005-05-15 Created: 2005-05-15 Last updated: 2011-09-26Bibliographically approved
In thesis
1. Geometric and Electronic Structure of Metal-Metal Bonded Systems
Open this publication in new window or tab >>Geometric and Electronic Structure of Metal-Metal Bonded Systems
2005 (English)Doctoral thesis, comprehensive summary (Other scientific)
Inorganic chemistry, Oorganisk kemi
National Category
Inorganic Chemistry
urn:nbn:se:kth:diva-197 (URN)91-7178-036-X (ISBN)
Public defence
2005-05-20, K1, Kemi, Teknikringen 56, Stockholm, 13:00
Available from: 2005-05-15 Created: 2005-05-15 Last updated: 2012-03-21

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