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AM1 treatment of some [2(2)](1,4)-cyclophane-fused tetraazaporphyrins
Date
2000-09-18
Author
Türker, Burhan Lemi
Metadata
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Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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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
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BibTeX
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.