Electron affinity of element 114, with comparison to Sn and Pb

被引:18
作者
Borschevsky, Anastasia [1 ]
Pershina, Valeria [2 ]
Eliav, Ephraim [1 ]
Kaldor, Uzi [1 ]
机构
[1] Tel Aviv Univ, Sch Chem, IL-69978 Tel Aviv, Israel
[2] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany
关键词
COUPLED-CLUSTER METHOD; GAUSSIAN-BASIS SET; ENERGIES; ATOMS; IONS;
D O I
10.1016/j.cplett.2009.08.059
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The electron affinity (EA) of element 114 is calculated by the mixed sector intermediate Hamiltonian coupled cluster method, using large basis sets and model spaces. Similar calculations reproduce the EA of the lighter homologues Sn and Pb within 5%. This good agreement lends credence to the result obtained for element 114, predicting that the superheavy element will have no electron affinity and will not bind an extra electron. Trends in group 14 and the relativistic destabilization of the E114 7p(3/2) orbital support this conclusion. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码:49 / 51
页数:3
相关论文
共 26 条
[1]  
[Anonymous], 1986, Atomic Many-Body Theory
[2]   Relativistic computations of the electronic states of the superheavy element 114 and 114+ (vol 341, pg 601, 2001) [J].
Balasubramanian, K .
CHEMICAL PHYSICS LETTERS, 2002, 351 (1-2) :161-162
[3]   Relativistic computations of the electronic states of the superheavy element 114 and 114+ [J].
Balasubramanian, K .
CHEMICAL PHYSICS LETTERS, 2001, 341 (5-6) :601-607
[4]  
EICHLER R, 2008, NRC07 C BUD
[5]   Extrapolated intermediate Hamiltonian coupled-cluster approach: Theory and pilot application to electron affinities of alkali atoms [J].
Eliav, E ;
Vilkas, MJ ;
Ishikawa, Y ;
Kaldor, U .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (22)
[6]   OPEN-SHELL RELATIVISTIC COUPLED-CLUSTER METHOD WITH DIRAC-FOCK-BREIT WAVE-FUNCTIONS - ENERGIES OF THE GOLD ATOM AND ITS CATION [J].
ELIAV, E ;
KALDOR, U ;
ISHIKAWA, Y .
PHYSICAL REVIEW A, 1994, 49 (03) :1724-1729
[7]   Element 118: The first rare gas with an electron affinity [J].
Eliav, E ;
Kaldor, U ;
Ishikawa, Y ;
Pyykko, P .
PHYSICAL REVIEW LETTERS, 1996, 77 (27) :5350-5352
[8]   IONIZATION-POTENTIALS AND EXCITATION-ENERGIES OF THE ALKALI-METAL ATOMS BY THE RELATIVISTIC COUPLED-CLUSTER METHOD [J].
ELIAV, E ;
KALDOR, U ;
ISHIKAWA, Y .
PHYSICAL REVIEW A, 1994, 50 (02) :1121-1128
[9]   Relativistic Gaussian basis sets for the elements K-Uuo [J].
Faegri, K .
THEORETICAL CHEMISTRY ACCOUNTS, 2001, 105 (03) :252-258
[10]  
FRICKE B, 1975, SUPERHEAVY ELEMENTS