Nitrogen 14 Nuclear Quadrupole Resonance Study of Several Condensed Ring Compounds

Nuclear Quadrupole Resonance of Nitrogen-14 in Potassium Hexathiocyanatoplatinate(IV) and Tetrathiocyanatomercurate(II)

The nuclear quadrupole resonance of 14N was observed in KoPt(SCN)6 and K2Hg(SCN)4 at various temperatures. Both compounds yield large asymmetry parameters indicating the existence of asymmetric ^-electron distribution about a CN bond axis. The ionic character of metal-ligand bonds in the platinum and mercury complexes is estimated to be 28% and 58 %, respectively. The temperature dependence of ...

Ab initio Study of Nitrogen-14 Nuclear Quadrupole Coupling and NMR Signal Linewidths in Some Azoles*

Ab initio values of Nitrogen N Nuclear Quadrupole Coupling Constants (NQCC's) are calculated for a series of methyl-substituted azoles in the Multiconfigurational SCF (MCSCF) approximation. The four triazoles and two tetrazoles studied here are all isoelectronic. This enabled us to use the same level of approximation basis set and active space for all the molecules. The computed NQCC's are used...

Nuclear Quadrupole Resonance*

A resonance phenomenon which is closely related to NMR is nuclear quadrupole resonance (NQR), which was discovered in 1950 by Dehmelt and Kruger. All nuclei with a spin > 1 possess in addition to the magnetic moment, an electric quadrupole moment eQ, which measures the deviation of the distribution of the positive charge in the nucleus from spherical symmetry. While e is the elementary charge, ...

Nuclear Quadrupole Resonance Spectroscopy

Nuclear Quadrupole Coupling in 5-Membered Ring Oxygen and Sulphur Heterocyclic Compounds; Studies by Nuclear Quadrupole Resonance and Ab Initio Molecular Orbital Calculations

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...