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Updated: Dec 30, 2025
A Technical Guide for Performing Spectroscopic Measurements on Metal-Organic Frameworks
Published on: April 28, 2023
Spectroscopic and density functional studies of the dinitrosyl metalloporphyrin complexes Fe(P)(NO)2 and Ru(P)(NO)2
James C Patterson1, Ivan M Lorković, Peter C Ford
1Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106-9510, USA.
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 (D(4)(h)() or C(2)(h)()) structure, DFT geometry optimizations and frequency calculations of model complexes indicate that the trans-syn (C(2)(v)()) 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.
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