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

Date

2000-09-18

Author

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.

Subject Keywords

Porphyrins, Metalloporphyrins, Tetraazaporphyrins, Cyclophanes, Am1 treatment

URI

https://hdl.handle.net/11511/62257

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(00)00318-3

Collections

Department of Chemistry, Article

Citation Formats

B. L. Türker, “AM1 treatment of some [2(2)](1,4)-cyclophane-fused tetraazaporphyrins,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 530, pp. 119–124, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62257.