/sup 13/C and /sup 17/O NMR and IR spectroscopic study of a series of carbonyl(4-substituted pyridine)(meso-tetraphenylporphinato)iron(II) complexes. Correlations between NMR chemical shifts and IR stretching frequencies of the carbonyl ligand and Taft parameters of the pyridine substituent

Journal Article · Wed Aug 26 00:00:00 EDT 1987 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00264a011· OSTI ID:5522862

Box, J W; Gray, G M

The results of a /sup 13/C and /sup 17/O NMR and IR spectroscopic study of a series of carbonyl(4 substituted pyridine)(meso-tetraphenylporphinato)iron(II) (Fe(TPP)(CO)(py-4-X)) complexes are presented. Good to excellent linear correlations between the /sup 13/ and /sup 17/O NMR chemical shifts and the IR stretching frequencies of the carbonyl ligand are observed as the pyridine substituent is varied. Good to excellent linear correlations are also observed between these NMR chemical shifts and IR stretching frequencies and the NMR chemical shifts and IR stretching force constants for the trans carbonyls of a series of cis-Mo(CO)/sub 4/(py-4-X)/sub 2/ complexes as the pyridine substituent is varied. The relationship between the donor ability of the pyridine ligands and the /sup 13/C and /sup 17/O NMR chemical shifts and the IR stretching frequencies of the carbonyl ligands in the Fe(TPP)(CO)(py-4-X) complexes has been quantitated by fitting the spectroscopic data to the single and the dual Taft substituent parameters of the pyridine substituent. Good to excellent correlations are observed. The upfield shift in the /sup 13/C NMR resonance of the carbonyl ligand as the electron-donor ability of the pyridine increases is unique. This has been rationalized by using the Buchner and Schenk description of metal carbonyl /sup 13/C NMR chemical shifts. 49 references, 3 figures, 6 tables.

• Research Organization: Univ. of Alabama, Birmingham
• OSTI ID: 5522862
• Journal Information: Inorg. Chem.; (United States), Vol. 26:17
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AROMATICS
INFRARED SPECTRA
NUCLEAR MAGNETIC RESONANCE
CARBONYLS
IRON COMPLEXES
ORGANIC PHOSPHORUS COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PYRIDINES
CARBON 13
EXPERIMENTAL DATA
OXYGEN 18
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CARBON ISOTOPES
COMPLEXES
DATA
EVEN-EVEN NUCLEI
EVEN-ODD NUCLEI
HETEROCYCLIC COMPOUNDS
INFORMATION
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXYGEN ISOTOPES
RESONANCE
SPECTRA
STABLE ISOTOPES
TRANSITION ELEMENT COMPLEXES
400201* - Chemical & Physicochemical Properties
400202 - Isotope Effects
Isotope Exchange
& Isotope Separation