Fig. 6. (a) Experimental spectra of the Phillips catalyst measured under vacuum (red) and CO atmosphere at 300 K (green) and at 100 K (blue). (b) Linear combination fit of experimental spectra with the library of experimental references. Best fit is obtained for linear combination of 58% of 2 (Cr(TBOS)2(XyNC)4) and 42% of 1 (Cr(OAr)2(XyNC)2).
