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Title: /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

Abstract

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 /supmore » 13/C NMR chemical shifts. 49 references, 3 figures, 6 tables.« less

Authors:
;
Publication Date:
Research Org.:
Univ. of Alabama, Birmingham
OSTI Identifier:
5522862
Resource Type:
Journal Article
Journal Name:
Inorg. Chem.; (United States)
Additional Journal Information:
Journal Volume: 26:17
Country of Publication:
United States
Language:
English
Subject:
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; AZINES; 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

Citation Formats

Box, J W, and Gray, G M. /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. United States: N. p., 1987. Web. doi:10.1021/ic00264a011.
Box, J W, & Gray, G M. /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. United States. https://doi.org/10.1021/ic00264a011
Box, J W, and Gray, G M. 1987. "/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". United States. https://doi.org/10.1021/ic00264a011.
@article{osti_5522862,
title = {/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},
author = {Box, J W and Gray, G M},
abstractNote = {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.},
doi = {10.1021/ic00264a011},
url = {https://www.osti.gov/biblio/5522862}, journal = {Inorg. Chem.; (United States)},
number = ,
volume = 26:17,
place = {United States},
year = {Wed Aug 26 00:00:00 EDT 1987},
month = {Wed Aug 26 00:00:00 EDT 1987}
}