Novel coumarin substituted Cu(II) and Co(II) phthalocyanines: Preparing, researching spectroscopic properties and molecular modeling

Caner Yahya Boyar, Simal Kurumoglu, Meryem Camur, Yasemin Keskek Karabulut, Yelda Yalcin Gurkan
2020 Zenodo  
Department of Chemistry, Kirklareli University, Kirklareli, Turkey Department of Chemistry, Tekirdag Namik Kemal University, Tekirdag, Turkey E-mail: Manuscript received online 20 October 2020, revised and accepted 31 October 2020 The original Cu(II) and Co(II) metallo phthalocyanine complexes substituted with 7-oxy-4-(pyridin-3-yl)coumarin moieties both in peripheral and non-peripheral positions were synthesized and their structure characterized. Their electronic
more » ... on spectra and aggregation properties were investigated in DMF and DMSO. The Cu metallo peripheral substituted phthalocyanine complex was exhibited an aggregation band in both DMF and DMSO. On the other phthalocyanine complexes no aggregation band was observed. Optimized geometry of the molecules was drawn using Gauss-View 5 program, and their state at lowest energy was determined using Gaussian 09 program. However, energy-minimized structure, electronic distribution and molecular orbitals were obtained by DFT/B3LYP/6-31G (d,p) calculations which were supported by experimental results.
doi:10.5281/zenodo.5666362 fatcat:5ingzy3mobgwfapgbhjqgh3hpm