An "Intermediate Spin" Nickel hydride complex stemming from delocalized Ni2μ-H)2 bonding

Journal of the American Chemical Society

Volumn 136, Issue 39, 2014, Pages 13538-13541

  Yao, Shu A ^a   Corcos, Amanda R ^a   Infante, Ivan ^b   Hillard, Elizabeth A ^c,d   Clérac, Rodolphe ^c,d   Berry, John F ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^c CNRS   (France)

^d UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; HYDRIDES;

CAS-SCF; ELECTRONIC STRUCTURE CALCULATIONS; INTERMEDIATE SPINS; NICKEL HYDRIDES; ORBITALS; VARIABLE TEMPERATURE; ZERO-FIELD SPLITTINGS;

NICKEL;

NICKEL; ORGANOMETALLIC COMPOUND;

ABSORPTION SPECTROSCOPY; ANISOTROPY; ARTICLE; ATOM; CHEMICAL BINDING; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; MAGNETISM; PROTON NUCLEAR MAGNETIC RESONANCE; TEMPERATURE; TEMPERATURE DEPENDENCE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

MOLECULAR STRUCTURE; NICKEL; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; TEMPERATURE;

EID: 84907486666     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja507342a     Document Type: Article

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