Theoretical study of the physicochemical properties of the light transactinides

JOURNAL OF ALLOYS AND COMPOUNDS(1994)

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摘要
A theoretical study of the physicochemical properties of elements 104, 105, and 106 and their compounds in the gas phase and aqueous solutions has been undertaken using relativistic atomic and molecular codes. Trends in properties such as bonding, ionization potentials, electron affinities, energies of electronic transitions, stabilities of oxidation states etc. have been defined within the corresponding chemical groups and within the transactinides. These trends are shown to be determined by increasing relativistic effects within the groups. The behaviour of some gas phase compounds and complexes in solutions is predicted for the gas chromatography and solvent extraction experiments. Redox potentials in aqueous solutions of these elements are estimated.
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关键词
chemical properties,aqueous solution,redox potential,physical properties,ionization potential,electron affinity,relativistic effects,computational chemistry,gas chromatography
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