On the involvement of the shallow core 5d level in the bonding in HgO

Chemical Physics Letters

Volumn 399, Issue 1-3, 2004, Pages 98-101

  Glans, Per Anders ^a   Learmonth, Timothy ^a   McGuinness, Cormac ^a   Smith, Kevin E ^a   Guo, Jinghua ^b   Walsh, Aron ^c   Watson, Graeme W ^c   Egdell, Russell G ^d  

^a Boston University   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c TRINITY COLLEGE DUBLIN   (Ireland)

^d UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COVALENT BONDS; HYBRIDIZATION; INTRA-ATOMIC MIXING;

CADMIUM COMPOUNDS; ELECTRONS; OXYGEN; STEREOCHEMISTRY; X RAY SPECTROSCOPY; ZINC OXIDE;

BONDING;

CADMIUM OXIDE; MERCURIC OXIDE; ZINC OXIDE;

ARTICLE; CALCULATION; CHEMICAL BINDING; CORRELATION ANALYSIS; COVALENT BOND; ENERGY; RACEMIC MIXTURE; STEREOCHEMISTRY; X RAY ANALYSIS;

EID: 10944235489     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.09.145     Document Type: Article

References (18)

1. A.F. Wells Structural Inorganic Chemistry 1984 Clarendon Press Oxford
2. J.D. Dunitz, and L.E. Orgel Advances in Inorganic Chemistry and Radiochemistry 2 1960 1
3. J.K. Burdett Chemical Bonds: A Dialog 1997 Wiley Chichester
4. S. Süzer, S.T. Lee, and D.A. Shirley Phys. Rev. A 13 1976 1842
5. I.P. Grant Adv. Phys. 19 1970 747
6. J. Nordgren, and R. Nyholm Nucl. Instrum. Meth. A 246 1986 242
7. J. Nordgren, G. Bray, S. Cramm, R. Nyholm, J.E. Rubensson, and N. Wassdahl Rev. Sci. Instrum. 60 1989 1690
8. C. McGuinness, C.B. Stagarescu, P.J. Ryan, J.E. Downes, D. Fu, K.E. Smith, and R.G. Egdell Phys. Rev. B 68 2003 165104
9. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
10. G. Kresse, and J. Furthmuller Comp. Mater. Sci 6 1996 15
11. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
12. P.E. Blöchl Phys. Rev. B 50 1994 17953
13. G.W. Watson, and S.C. Parker J. Phys. Chem. B 10 1999 1258
14. Y. Dou, R.G. Egdell, D.S.L. Law, N.M. Harrison, and B.G. Searle J. Phys. Condensed Matter 10 1998 8447
15. A. Schilling, M. Cantoni, J.D. Guo, and H.R. Ott Nature 362 1993 226
16. L. Gao, Y.Y. Xue, F. Chen, Q. Xiong, R.L. Meng, D. Ramirez, C.W. Chu, J.J. Eggert, and H.K. Mao Phys. Rev. B 50 1994 4260
17. A.R. Armstrong, W.I.F. David, I. Gameson, P.P. Edwards, J.J. Capponi, P. Bordet, and M. Marezio Phys. Rev. B 52 1995 15551
18. C. Ambrosch-Draxl, E.Y. Sherman, H. Auer, and T. Thonhauser Phys. Status Solidi B 241 2004 1199