Document Detail


A paramagnetic bonding mechanism for diatomics in strong magnetic fields.
MedLine Citation:
PMID:  22822146     Owner:  NLM     Status:  In-Process    
Abstract/OtherAbstract:
Elementary chemistry distinguishes two kinds of strong bonds between atoms in molecules: the covalent bond, where bonding arises from valence electron pairs shared between neighboring atoms, and the ionic bond, where transfer of electrons from one atom to another leads to Coulombic attraction between the resulting ions. We present a third, distinct bonding mechanism: perpendicular paramagnetic bonding, generated by the stabilization of antibonding orbitals in their perpendicular orientation relative to an external magnetic field. In strong fields such as those present in the atmospheres of white dwarfs (on the order of 10(5) teslas) and other stellar objects, our calculations suggest that this mechanism underlies the strong bonding of H(2) in the (3)Σ(u)(+)(1σ(g)1σ(u)*) triplet state and of He(2) in the (1)Σ(g)(+)(1σ(g)(2)1σ(u)(*2)) singlet state, as well as their preferred perpendicular orientation in the external field.
Authors:
Kai K Lange; E I Tellgren; M R Hoffmann; T Helgaker
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Science (New York, N.Y.)     Volume:  337     ISSN:  1095-9203     ISO Abbreviation:  Science     Publication Date:  2012 Jul 
Date Detail:
Created Date:  2012-07-23     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0404511     Medline TA:  Science     Country:  United States    
Other Details:
Languages:  eng     Pagination:  327-31     Citation Subset:  IM    
Affiliation:
Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, N-0315 Oslo, Norway.
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Comments/Corrections
Comment In:
Science. 2012 Jul 20;337(6092):302-3   [PMID:  22822137 ]

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