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A gas-phase study of the preferential solvation of Mn(2+) in mixed water/methanol clusters.

作者信息

Duncombe Bridgette J, Rydén Jens O S, Puskar Ljilijana, Cox Hazel, Stace Anthony J

机构信息

Department of Physical Chemistry, School of Chemistry, University of Nottingham, University Park, Nottingham, UK.

出版信息

J Am Soc Mass Spectrom. 2008 Apr;19(4):520-30. doi: 10.1016/j.jasms.2007.12.004. Epub 2007 Dec 27.

DOI:10.1016/j.jasms.2007.12.004
PMID:18258449
Abstract

The kinetic shift that exists between two competing unimolecular fragmentation processes has been used to establish whether or not gas-phase Mn(2+) exhibits preferential solvation when forming mixed clusters with water and methanol. Supported by molecular orbital calculations, these first results for a metal dication demonstrate that Mn(2+) prefers to be solvated by methanol in the primary solvation shell.

摘要

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Performance of molecular orbital methods and density functional theory in the computation of geometries and energies of metal aqua ions.分子轨道方法和密度泛函理论在金属水合离子几何结构和能量计算中的性能。
J Phys Chem B. 2005 Feb 3;109(4):1510-27. doi: 10.1021/jp045407v.
2
Competing non-covalent interactions in alkali metal ion-acetonitrile-water clusters.碱金属离子-乙腈-水团簇中的竞争非共价相互作用。
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Fragmentation pathways of [Mg(NH3)n]2+ complexes: electron capture versus charge separation.
Proton transfer reactions for methanol and water containing manganese ion complexes.
含锰离子配合物的甲醇和水的质子转移反应。
J Am Soc Mass Spectrom. 2011 Dec;22(12):2276-81. doi: 10.1007/s13361-011-0260-3. Epub 2011 Oct 12.
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Gas phase structure of micro-hydrated [Mn(ClO4)]+ and [Mn2(ClO4)3]+ ions probed by infrared spectroscopy.气相中微水合[Mn(ClO4)]+和[Mn2(ClO4)3]+离子结构的红外光谱研究。
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Hydration energies of divalent metal ions, Ca2+ (H2O)n (N = 5-7) and Ni2+ (H2O)m (N = 6-8), obtained by blackbody infrared radiative dissociation.通过黑体红外辐射解离获得的二价金属离子Ca2+(H2O)n(n = 5 - 7)和Ni2+(H2O)m(m = 6 - 8)的水合能。
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Hydration energies and structures of alkaline earth metal ions, M2+(H2O)n, n = 5-7, M = Mg, Ca, Sr, and Ba.碱土金属离子M2+(H2O)n(n = 5 - 7,M = Mg、Ca、Sr和Ba)的水合能及结构
J Am Chem Soc. 1999 Sep 29;121(38):8898-906. doi: 10.1021/ja9911871.
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Solvent coordination in gas-phase [Mn.(H(2)O)(n)](2+) and [Mn.(ROH)(n)](2+) complexes: theory and experiment.
J Am Chem Soc. 2003 Jan 8;125(1):233-42. doi: 10.1021/ja012367p.