A theoretical study of the large Hg-Hg spin-spin coupling constants in Hg22+, Hg32+, and Hg22+-crown ether complexes

Journal of the American Chemical Society

Volumn 125, Issue 16, 2003, Pages 4937-4942

  Autschbach, Jochen ^a,b   Igna, Ciprian D ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; MERCURY (METAL); NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION;

COUPLING CONSTANTS;

CROWN ETHERS;

CROWN ETHER DERIVATIVE; MERCURY;

ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; COMPUTER PROGRAM; DENSITY FUNCTIONAL THEORY; HUCKEL THEORY; ION TRANSPORT; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; OBSERVATION; SPIN SPIN COUPLING; SPIN TRAPPING; THEORY;

EID: 0037462082     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja028721g     Document Type: Article

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