In 2022,Magri, Giuseppina; Folli, Andrea; Murphy, Damien M. published an article in European Journal of Inorganic Chemistry. The title of the article was 《Monitoring the Substrate-Induced Spin-State Distribution in a Cobalt(II)-Salen Complex by EPR and DFT》.Application of 1122-54-9 The author mentioned the following in the article:
Ground state changes of (R,R’)-N,N’-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino Co(II),following coordination of various pyridyl substrate has been examined by CW EPR, pulsed relaxation measurements and DFT. The solution-based Co(II) complex possesses a low spin (LS) state yz,2A2〉 (with g-values of 1.96, 1.895, 3.14). Upon coordination of the pyridyl substrate, the resulting bound adduct reveals a distribution of LS ‘base-on’ species, possessing a z2, 2A1〉 electronic ground state (with g-values of 2.008, 2.2145, 2.46) and a high spin (HS) species (with geff = 4.6). DFT indicated that the energy gap between the LS and HS state is dramatically lowered (ΔE < 25 kJmol-1) following substrate coordination. DFT suggests the main geometrical difference between the LS and HS systems is the severe puckering of the N2O2 ligand backbone. The results revealed a tentative dependency on the pKa-H of the substrates for the spin distribution where, in most cases, the higher pKa-H substrate values favored the HS species.4-Acetylpyridine(cas: 1122-54-9Application of 1122-54-9) was used in this study.
4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application of 1122-54-9