Spectroscopic and Density Functional Studies of the Dinitrosyl Metalloporphyrin Complexes Fe(P)(NO)2 and Ru(P)(NO)2
- 27 June 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in Inorganic Chemistry
- Vol. 42 (16) , 4902-4908
- https://doi.org/10.1021/ic034079v
Abstract
Experimental evidence including infrared spectra for the formation of the dinitrosyl metalloporphyrin complexes M(P)(NO)2 (M = Ru or Fe, P = tetraphenylporphyrin (TPP), octaethylporphyrin (OEP), or tetra-m-tolylporphryin (TmTP)) is described. Although observation of a single NO stretching band in the IR spectrum of each M(P)(NO)2 complex first suggested a centrosymmetric (D4h or C2h) structure, DFT geometry optimizations and frequency calculations of model complexes indicate that the trans-syn (C2v) conformation should be more stable. The frequency calculations resolve the apparent ambiguity in the IR spectra in terms of the relative oscillator strengths of the predicted IR bands.Keywords
This publication has 18 references indexed in Scilit:
- Comparative IR Study of Nitric Oxide Reactions with Sublimed Layers of Iron(II)− and Ruthenium(II)−meso-TetraphenylporphyrinatesJournal of the American Chemical Society, 2002
- Nitric Oxide Addition to the Ferrous Nitrosyl Porphyrins Fe(P)(NO) Gives trans-Fe(P)(NO)2 in Low-Temperature SolutionsJournal of the American Chemical Society, 2000
- Reactivity of the Iron Porphyrin Fe(TPP)(NO) with Excess NO. Formation of Fe(TPP)(NO)(NO2) Occurs via Reaction with Trace NO2Inorganic Chemistry, 2000
- Nitric oxide complexes of metalloporphyrins: an overview of some mechanistic studiesCoordination Chemistry Reviews, 1999
- Kinetics and Mechanism of Nitric Oxide Disproportionation upon Reaction with Ruthenium(II) Porphyrin Carbonyls: Evidence for Dinitrosyl Intermediates1Inorganic Chemistry, 1999
- Flash Photolysis Studies of the Ruthenium(II) Porphyrins Ru(P)(NO)(ONO). Multiple Pathways Involving Reactions of Intermediates with Nitric Oxide1Journal of the American Chemical Society, 1998
- A Dissociative Mechanism for Reactions of Nitric Oxide with Water Soluble Iron(III) PorphyrinsJournal of the American Chemical Society, 1997
- Synthesis and Structural Characterization of Several Ruthenium Porphyrin Nitrosyl ComplexesInorganic Chemistry, 1997
- Chemical biology of nitric oxide: Regulation and protective and toxic mechanismsPublished by Elsevier ,1996
- Photochemistry of nitric oxide adducts of water-soluble iron(III) porphyrin and ferrihemoproteins studied by nanosecond laser photolysisJournal of the American Chemical Society, 1993