Abstract
By combined calculation and spectral methods the structure and properties of the molecular complexes of cobaltoctaalkylporphyrin in benzene were studied. Geometric and energy characteristics of the optimized molecules of cobalt porphyrinate and its molecular complexes were calculated. Their stability and degree of deformation were evaluated. It was established that the process of axial coordination is accompanied by the reduction of cobalt. Interrelation between the stability of the cobalt porphyrinate complexes and the nature of the base was noted. A change in the degree of deformation of the porphyrin ligand in the course of reaction was shown. Correlations between the calculation data and the value of the equilibrium constant of the axial coordination reaction were obtained.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.