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Crystal structures of meso-tetrakis(2′,6′/3′,5′-difluorophenyl)porphyrins and their metal complexes: Influence of position of the fluoro groups on their structural properties
| Content Provider | Semantic Scholar |
|---|---|
| Author | Puttaiah, Bhyrappa Karunanithi, Karuppaiah |
| Copyright Year | 2016 |
| Abstract | AbstractTwo series of non-solvated structures of 5,10,15,20-tetrakis(2′,6′/3′,5′-difluorophenyl)porphyrins, H2T(2′,6′/3′,5′-DFP)P and their metal (Cu(II) and Zn(II)) complexes were determined by single crystal XRD. H2(2′,6′-DFP)P, 1 and its metal (Cu(II), 2 and Zn(II), 3) complexes showed near planar geometry of the porphyrin ring with the maximum root-mean-square (r.m.s.) which is the average deviation of the 24 core atoms from their least-squares plane by 0.056(3) Å while MT(3′,5′-DFP)P (Cu(II), 4 and Zn(II), 5) structures feature significant distortion of the macrocycle (r.m.s. = 0.22(2) Å). Nearly planar structures 1-3 revealed more number of intermolecular short contacts than that observed in nonplanar structures 4 and 5. Normal coordinate structure decomposition analysis of the structures 1-3 revealed negligible wave distortion of the macrocycle but the corresponding nonplanar 4 and 5 structures feature mainly ruffled combined with minimal saddled distortions. The increased nonplanarity of the less sterically hindered derivatives 4 and 5 has been ascribed to intermolecular interactions and/or crystal packing forces. Graphical AbstractTwo series of non-solvated 5,10,15,20-tetrakis(2′,6′/3′,5′-difluorophenyl)porphyrins, H2T(2′,6′/3′,5′-DFP)P and their (Cu(II) and Zn(II)) complexes have been examined by single crystal XRD and they showed near planarity of the macrocycle in the MT(2′,6′-DFP)Ps and enhanced nonplanar distortions in the MT(3′,5′-DFP)Ps structures. |
| Starting Page | 501 |
| Ending Page | 509 |
| Page Count | 9 |
| File Format | PDF HTM / HTML |
| DOI | 10.1007/s12039-016-1053-9 |
| Volume Number | 128 |
| Alternate Webpage(s) | https://www.ias.ac.in/article/fulltext/jcsc/128/04/0501-0509 |
| Alternate Webpage(s) | https://doi.org/10.1007/s12039-016-1053-9 |
| Journal | Journal of Chemical Sciences |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |