Abstract
We utilized the OPBE/TZVP (GAUSSIAN-09) hybrid density functional method to compute thermodynamic (full energy; standard enthalpy, entropy, and Gibbs energy of formation) and geometry (bond lengths, bond angles, and torsion angles) parameters of (555)macrotricyclic complexes of Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II) with (NSSN) coordination of the ligand donor centers. Such complexes can be formed upon interaction of hexacyanoferrate(II) of the listed metals, ethanedithioamide, hydrazinomethanethioamide, and ethanedial in gelatin-immobilized matrix implants. Complexes of Cu(II) and Zn(II) are slightly nonplanar, the other complexes are almost flat. In all cases the additionally formed five-membered cycle is practically flat.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
