Evaluation of the dipolar contribution to lanthanide shift reagent induced isotropic shifts

Journal Article · Thu Jan 17 04:00:00 UTC 1985 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100248a002· OSTI ID:5786361

Van Zijl, P C.M.; Van Wezel, R P; MacLean, C; Bothner-By, A A

A method is outlined to determine the dipolar contribution to the isotopic chemical shift for substrates attached to a lanthanide shift reagent. The procedure is illustrated for Ln(dpm)/sub 3/(py)/sub 2/ complexes, with Ln = Ho, Tb. The difference between the calculated dipolar contribution to the shift and the experimental shift is about 10%. The discrepancy can be accounted for by small nondipolar shift contributions and/or assumptions concerning the molecular structure. 19 references, 2 figures, 1 table.

• Research Organization: Free Univ., Amsterdam, Netherlands
• OSTI ID: 5786361
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 89:2; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
AZINES
CHEMICAL SHIFT
COMPLEXES
DATA
DIPOLE MOMENTS
EXPERIMENTAL DATA
FREQUENCY RANGE
HETEROCYCLIC COMPOUNDS
HOLMIUM COMPLEXES
INFORMATION
MAGNETIC DIPOLE MOMENTS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
MAGNETIC SUSCEPTIBILITY
MEDIUM TEMPERATURE
MHZ RANGE
MHZ RANGE 01-100
MOLECULAR STRUCTURE
NMR SPECTRA
NUCLEAR MAGNETIC MOMENTS
NUCLEAR PROPERTIES
NUCLEAR QUADRUPOLE RESONANCE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
PYRIDINE
PYRIDINES
QUADRUPOLE MOMENTS
RARE EARTH COMPLEXES
RESONANCE
SPECTRA
TERBIUM COMPLEXES