Solid-state and solution /sup 113/Cd NMR, shielding tensor components, and crystal and molecular structures of (bis(2-(3,5-dimethyl-1-pyrazolyl)ethyl) oxide)bis(nitrato-O,O')cadmium(I) and (bis(2-(3,5-dimethyl-1-pyrazolyl)ethyl)amine)bis(nitrato-O,O')cadmium(II)

Journal Article · Wed Dec 02 04:00:00 EST 1987 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00271a005· OSTI ID:5477611

Griffith, E A.H.; Charles, N G; Lewinski, K; Amma, E L; Rodesiler, P F

The /sup 113/Cd NMR spectra have been observed for the title compounds, A and B, respectively, in methanol solution and in the solid state by magic-angle cross-polarization (MAS/CP) techniques. In solution A and B each give a single line at -96.3 and -95.2 ppM (deshielded relative to the 0.1 M Cd(ClO/sub 4/)/sub 2/ in D/sub 2/O standard), respectively, with half-widths at half peak heights of 7.1 and 1.5 ppM, respectively. In the solid state both compounds give a single line at -106 ppM with a half-width at half peak height of 6 and 3 ppM, respectively. Essentially the same species is present both in the solution and in the solid state. The components of the chemical shift tensor were calculated from the spinning side bands for both A and B and were found to be -170, -175, +31 and -169, -170, +12 ppM in a well-defined orientation to the pseudo-fivefold molecular axis. The crystal structures of A and B are made up of discrete molecules separated by ordinary van der Waals distances. The B molecules contain fairly regular pentagonal-bipyramidal Cd/sup 2 +/ with one equatorial and two axial nitrogen donors from the ligand and four equatorial oxygen donors from asymmetric bidentate nitrate groups. The structure of A is made up of two different molecules, A and A', both of which have very distorted pentagonal bipyramidal Cd/sup 2 +/ with two axial nitrogens and one equatorial oxygen from the ligand and four equatorial oxygen atoms from symmetrical bidentate nitrate groups. X-ray data for the crystal structure of the two compounds are presented. 44 references, 5 figures, 3 tables.

• Research Organization: Univ. of South Carolina, Columbia
• OSTI ID: 5477611
• Journal Information: Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 26:24; ISSN INOCA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
AZOLES
BETA DECAY RADIOISOTOPES
BETA-MINUS DECAY RADIOISOTOPES
CADMIUM 113
CADMIUM COMPLEXES
CADMIUM ISOTOPES
COMPLEXES
CRYSTAL STRUCTURE
DATA
DEUTERIUM
EVEN-ODD NUCLEI
EXPERIMENTAL DATA
HETEROCYCLIC COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
INTERMEDIATE MASS NUCLEI
ISOMERIC TRANSITION ISOTOPES
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
NMR SPECTRA
NUCLEAR MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PYRAZOLES
RADIOISOTOPES
RESONANCE
SPECTRA
STABLE ISOTOPES
YEARS LIVING RADIOISOTOPES