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AM1 treatment of some [2(2)](1,4)-cyclophane-fused tetraazaporphyrins

2000-09-18
Türker, Burhan Lemi
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AM1-type semiempirical molecular orbital calculations at the level of RHF approach have bean performed on certain [2(2)](1,4)-cyclophane-fused tetraazaporphyrins having Be+2, Si+2, Si+4, Ge+2, Ge+4 and Zn+2 as the central ions. The geometries, stabilities and the frontier molecular orbital energies were discussed.
Porphyrins, Metalloporphyrins, Tetraazaporphyrins, Cyclophanes, Am1 treatment
https://hdl.handle.net/11511/62257

Department of Chemistry, Article
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