Calculated NMR Parameters (Chemical Shifts and Coupling Constants) of Cyclic C4H2 and C4H4 Molecules Containing Carbene Centers, and of Some of their Boron Analoga, Using Density Functional Theory (DFT)

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 59, Issue 1, 2004, Pages 37-43

  Wrackmeyer, Bernd ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

Author keywords

Boranes; Carbenes; Cyclic Hydrocarbons; MO Calculations; NMR Parameters

Indexed keywords

BORON; BORON COMPOUNDS; CHEMICAL SHIFT; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ETHYLENE; HYDRIDES; MAGNETIC SHIELDING;

BORANES; CARBENES; COUPLING CONSTANTS; CYCLIC HYDROCARBONS; MO CALCULATIONS; NUCLEAR MAGNETIC SHIELDINGS; SPIN-ORBITAL INTERACTIONS; SPIN-SPIN COUPLINGS;

CHEMICAL BONDS;

BORON DERIVATIVE; CARBENE;

ARTICLE; CALCULATION; CYCLIZATION; DENSITY FUNCTIONAL THEORY; DISSOCIATION CONSTANT; EQUILIBRIUM CONSTANT; MOLECULE; PARAMETER; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ANALYSIS;

EID: 1442299991     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-2004-0106     Document Type: Article

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