Published 1986
| Version v1
Journal article
Theoretical and physical aspects of nuclear shielding
Description
Nuclear shieldings of Cu, Ag, Zn, Cd and Mn in metal complexes were calculated by a finite perturbation SCF method. The shielding contributions are analyzed according to diamagnetic and paramagnetic contributions and in terms of individual molecular orbital contributions. Physical aspects of nuclear shielding are also studied i.e. anisotropy of the shielding tensor, effects of rotation and vibration, isotope shifts, intermolecular effects. Absolute shielding scales for 17O, and 33S are given. (U.K.)
Additional details
Publishing Information
- Journal Title
- Nucl. Magn. Reson.
- Journal Volume
- 15
- Series
- Nucl. Magn. Reson.
- Journal Page Range
- 1-27
- CODEN
- NMRNB
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- United Kingdom
- INIS RN
- 18015781
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ANISOTROPY; CADMIUM COMPLEXES; CARBON 13; CHEMICAL SHIFT; CHLORIDES; COPPER COMPLEXES; CYANIDES; DIAMAGNETISM; MANGANESE COMPLEXES; NUCLEAR MAGNETIC RESONANCE; OXYGEN 17; PARAMAGNETISM; PERTURBATION THEORY; SHIELDING; SILVER COMPLEXES; SPECTRAL SHIFT; SULFUR 33; ZINC COMPLEXES
- Descriptors DEC
- CARBON ISOTOPES; CHLORINE COMPOUNDS; COMPLEXES; EVEN-ODD NUCLEI; HALIDES; HALOGEN COMPOUNDS; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; MAGNETISM; NUCLEI; OXYGEN ISOTOPES; RESONANCE; STABLE ISOTOPES; SULFUR ISOTOPES; TRANSITION ELEMENT COMPLEXES