Article

Predicting the properties of the 113-120 transactinide elements

The Journal of Physical Chemistry (Impact Factor: 2.78). 04/1981; 85(9):1177-1186. DOI: 10.1021/j150609a021

ABSTRACT

The information indices, recently introduced for the description of the electronic structure of atoms, are used as a more convenient basis than atomic number (or period number) for correlations with the properties of the chemical elements within the main groups of the periodic table. When the derived equations are extrapolated, the expected values for a number of properties or characteristics of the 113 to 120 transactinide elements are obtained: entropies in the gas and solid state, heats of melting and sublimation, melting and boiling points, first and second ionization potentials, atomic volumes, densities, covalent radii, and orbital exponents. Some corrections to the predictions were made by proceeding from the similarity in the trend of the expected values for elements 113 to 120 and the known data on elements 81 to 88. Some properties of elements 85 to 88, missing from the literature, were also calculated.

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    • ". Correlation between experimental adsorption enthalpies on gold surfaces of homologues of elements Cn through 118 and their respective sublimation enthalpies compared with recent data for Cn, Fl and 120 coming from oneatom-at-a-time experiments [150] [155], experimental estimates [6], and computational (DFT) predictions [146] [156] [157]. Experimental data for Bi, Hg, Kr, Pb, Po, Rn, Tl, and Xe are taken from Ref. [158], and data for At taken from Ref. [159]. of theory. "
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    ABSTRACT: The current status of relativistic electronic structure theory for superheavy elements is reviewed. Recent developments in relativistic quantum theory have made it possible to obtain accurate electronic properties for the trans-actinide elements with the aim to predict their chemical and physical behaviour. The role of quantum electrodynamic effects beyond the no-virtual-pair approximation, which is usually neglected in relativistic molecular calculations, is discussed. Changes in periodic trends due to relativistic effects are outlined for the superheavy elements with nuclear charge . We also analyse the role of the negative energy states for the electronic stability of superheavy elements beyond the critical nuclear charge ( ), where the 1s state enters the negative energy continuum at .
    Full-text · Article · Feb 2015 · Nuclear Physics A
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    • "The models obtained with the atomic information indices provided a basis for predicting twelve properties of unsynthesized elements from the upper end of the Periodic Table [26]. We have taken into account the relativistic effects, and additionally adjusted the information models to match better periodicity trends in groups and periods, in line with the Mendeleev tradition. "

    Full-text · Article · Jan 2005
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    • "The models obtained with the atomic information indices provided a basis for predicting twelve properties of unsynthesized elements from the upper end of the Periodic Table [26]. We have taken into account the relativistic effects, and additionally adjusted the information models to match better periodicity trends in groups and periods, in line with the Mendeleev tradition. "

    Full-text · Article · Jan 2005
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