Interpretation of Hydrogen/Deuterium Isotope Effects on NMR Chemical Shifts of [FHF]- Ion Based on Calculations of Nuclear Magnetic Shielding Tensor Surface

Zeitschrift fur Physikalische Chemie

Volumn 217, Issue 12, 2003, Pages 1549-1563

  Golubev, Nicolai S ^a   Melikova, Sona M ^a   Shchepkin, Dimitri N ^a   Shenderovich, Ilja G ^a   Tolstoy, Peter M ^a   Denisov, Gleb S ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

H D Isotope Effect; Hydrogen Bonding; Hydrogen Difluoride; NMR; Shielding Surfaces

Indexed keywords

CALCULATIONS; CHEMICAL SHIFT; FLUORINE; GEOMETRY; HYDROGEN BONDS; IONS; ISOTOPES; MAGNETISM; NUCLEAR MAGNETIC RESONANCE; TENSORS;

AB INITIO CALCULATIONS; BENDING VIBRATIONS; DIFLUORIDE; EQUILIBRIUM GEOMETRIES; FLUORINE CHEMICALS; ISOTOPE EFFECT; NMR CHEMICAL SHIFTS; NUCLEAR MAGNETIC SHIELDINGS;

MAGNETIC SHIELDING;

DEUTERIUM; FLUORINE; HYDROGEN; POLYMACON;

AB INITIO CALCULATION; ARTICLE; EQUILIBRIUM CONSTANT; HYDROGEN BOND; MAGNETISM; MATHEMATICAL COMPUTING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; VIBRATION;

EID: 0346994693     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.217.12.1549.20471     Document Type: Article

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