Indexed keywords
CHARGE TRANSFER TRANSITIONS;
DENSITY FUNCTIONAL THEORY CALCULATIONS;
ELEMENTAL SULFUR;
NICKEL PRECURSOR;
RESONANCE RAMAN EXCITATION PROFILES;
SPECTROSCOPIC IDENTIFICATION;
SPECTROSCOPIC METHOD;
VIBRATIONAL FEATURES;
CHARGE TRANSFER;
ION EXCHANGE;
ISOTOPES;
SULFUR;
DENSITY FUNCTIONAL THEORY;
ISOTOPE;
LIGAND;
MICRO 1,2 DISULFIDODINICKEL;
NICKEL;
UNCLASSIFIED DRUG;
(1,4,8,11 TETRAAZACYCLOTETRADECANE)NICKEL(II) PERCHLORATE;
(1,4,8,11-TETRAAZACYCLOTETRADECANE)NICKEL(II) PERCHLORATE;
DISULFIDE;
ORGANOMETALLIC COMPOUND;
ABSORPTION;
ARTICLE;
CATALYSIS;
ENERGY;
RAMAN SPECTROMETRY;
ROOM TEMPERATURE;
STOICHIOMETRY;
SYNTHESIS;
CHEMICAL STRUCTURE;
CHEMISTRY;
ELECTROSPRAY MASS SPECTROMETRY;
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;
ULTRAVIOLET SPECTROPHOTOMETRY;
DISULFIDES;
MAGNETIC RESONANCE SPECTROSCOPY;
MODELS, MOLECULAR;
NICKEL;
ORGANOMETALLIC COMPOUNDS;
SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION;
SPECTROPHOTOMETRY, ULTRAVIOLET;
SPECTRUM ANALYSIS, RAMAN;
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As shown in the Supporting Information, a fit of the VT 2H NMR spectral data to the effective Hamiltonian that leads to this coupling constant is not statistically better than a fit to a simple Curie paramagnet. However, given the S 0 ground state determined by MCD measurements and the lack of an EPR signal, we put forth an antiferromagnetically coupled dimer as the appropriate model for 2.
As shown in the Supporting Information, a fit of the VT 2H NMR spectral data to the effective Hamiltonian that leads to this coupling constant is not statistically better than a fit to a simple Curie paramagnet. However, given the S ) 0 ground state determined by MCD measurements and the lack of an EPR signal, we put forth an antiferromagnetically coupled dimer as the appropriate model for 2.
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