Triplet carbenes structural comparisons

Its formation can be observed after short irradiation with a wavelength of A. = 313 nm in argon at 10 K. It is possible to use the comparison of the experimental IR spectrum with the calculated spectra for the singlet and triplet carbene to determine the singlet multiplicity of the isolated molecule. Its structure cannot easily be described by normal valence formulas. The calculated... 

Like UV-vis spectra, IR spectra do not give concrete evidence for the multiplicity of carbene in question and, hence, comparison with EPR spectra is highly desired. However, IR spectroscopic data encode a lot of structural information and can be analyzed with the help of computational methods, thus aiding in the identification of the observed species. Since geometries of the singlet and triplet carbenes are usually different, their IR spectra are expected to be different. One can often assign a multiplicity of the carbene if one can calculate theoretical... 

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