Free energies of electron attachment to tris(acetylacetonate) and tris(hexafluoroacetylacetonate) transition-metal complexes in the gas phase: experimental results and ligand field analysis

1990 ◽  
Vol 29 (15) ◽  
pp. 2779-2787 ◽  
Author(s):  
Paul Sharpe ◽  
John R. Eyler ◽  
David E. Richardson
2017 ◽  
Vol 231 (3) ◽  
Author(s):  
Ivan V. Skovpin ◽  
Vladimir V. Zhivonitko ◽  
Igor P. Prosvirin ◽  
Dzhalil F. Khabibulin ◽  
Igor V. Koptyug

AbstractGenerating parahydrogen-induced polarization (PHIP) of nuclear spins with immobilized transition metal complexes as hydrogenation catalysts allows one to produce pure hyperpolarized substances, which can open new revolutionary perspectives for PHIP applications. A major drawback of immobilized complexes is their low stability under reaction conditions. In the present work we studied an immobilized iridium complex, Ir/SiO


2003 ◽  
Vol 56 (7) ◽  
pp. 675 ◽  
Author(s):  
Damien J. Carter ◽  
Mark I. Ogden ◽  
Andrew L. Rohl

Experimental and computational studies of the incorporation of hexacyanoferrate(II), hexacyanocobaltate(III), and hexacyanoferrate(III) into potassium chloride crystals are described. The experimental results showed that the extent of incorporation follows the trend hexacyanoferrate(II) » hexacyanoferrate(III) > hexacyanocobaltate(III). Computational modelling produced replacement energies that match the experimental trend. The calculated geometry of the incorporated complexes was also found to match well with previous experimental results.


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