DFT computational rationalization of an unusual spin ground state in an Mn12 single-molecule magnet with a low-symmetry loop structure

Angewandte Chemie - International Edition

Volumn 44, Issue 6, 2005, Pages 897-901

  Foguet Albiol, Dolos ^a   O'Brien, Ted A ^c   Wernsdorfer, Wolfgang ^b   Moulton, Brian ^d   Zaworotko, Michael J ^d   Abboud, Khalil A ^a   Christou, George ^a  

^a University of Florida ^*  (United States)

^b LABORATOIRE DE CRISTALLOGRAPHIE   (France)

^c INDIANA UNIVERSITY   (United States)

^d UNIVERSITY OF SOUTH FLORIDA   (United States)

Author keywords

Cluster compounds; Density functional calculations; Magnetic properties; Manganese; Single molecule magnets

Indexed keywords

GROUND STATE; MAGNETISM; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

GROUND-STATE SPINS; N-METHYLDIETHANOLAMINE; SINGLE-MOLECULE MAGNETS (SMM);

MANGANESE COMPOUNDS;

DIETHANOLAMINE; MANGANESE; N METHYLDIETHANOLAMINE; UNCLASSIFIED DRUG;

ACCELERATION; ANISOTROPY; ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYSTERESIS; MAGNET; MAGNETISM; SINGLE MOLECULE MAGNET; TEMPERATURE;

EID: 13744262633     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200461820     Document Type: Article

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