Synthesis, characterization and DFT analysis of new phthalocyanine complexes containing sulfur rich substituents

The windmill, the dragon, and the frog: geometry control over the spectral, magnetic, and electrochemical properties of cobalt phthalocyanine regioisomers

“…Zn, Ni, Co, NMR measurements for the Co complex are not performed. 22,23,[46][47][48][49][50][51][52][53] Still, there are 32 articles in which NMR measurements for the CoPcs were carried out. On examination of the published data, one finds that in some of these publications only lists of chemical shifts are given; in cases when the experimental spectra are shown, the resolution is poor.…”

“…There were fast perturbations within roughly 200 fs which were attributed to instrument artifacts (e.g. pump-probe interference 22,23,[46][47][48][49][50][51][52][53] ) and possibly excited state thermalization, however the rest of response can be fitted globally to biexponential decay model. The first time constant was around 1 ps and the second around 10 ps for all three compounds in toluene.…”

“…NMR characterisation of CoPcs is even more challenging due to the paramagnetic nature of the Co(II) ion, a reason to which the poor resolution and broadness of the peaks is usually attributed. [22][23][24] On the other hand, paramagnetic NMR studies are becoming more common, and some excellent publications have recently appeared, in which Co(II) complexes containing aromatic ligands are investigated. [25][26][27][28][29] However, when the system under study contained a porphyrin core, the NMR spectrum was unresolved.…”

Hetero-N-Coordinated Co Single Sites with High Turnover Frequency for Efficient Electrocatalytic Oxygen Evolution in an Acidic Medium

“…To gain an in-depth understanding of the catalytic mechanism for the HNC-Co electrocatalyst, cutting-edge operando synchrotron radiation Fourier transform infrared spectroscopy (SR-FTIR) was performed under realistic OER working conditions in an acidic medium by using a homemade smart electrochemical top-plate cell . As shown in Figure a, for the HNC-Co electrode under open-circuit (OC) conditions, the obvious absorption bands of 1595, 1535, and 879 cm –1 are assigned to the stretching mode of the benzene ring and the bending mode of C–H for the carbon support, whereas the 1048 cm –1 band is attributed to the stretching vibration of the newly formed Co–N bonds. − Interestingly, a new absorption band at ∼1248 cm –1 is clearly observed while a potential of 1.38 V is applied (∼100 mV larger than the onset potential), which is likely assigned to the emergence of a key *O intermediate on the Co active sites (Co–O*). Based on the theoretical normal-mode analysis results in Table S2, it can be seen that the stretching bands of Co–N and Co–O are theoretically located at 1063 and 1259 cm –1 , respectively.…”