Title of article
Detection of unusual ΔHOMO < ΔLUMO relationship in tetrapyrrolic cis- and trans-doubly N-confused porphyrins
Author/Authors
Muranaka، نويسنده , , Atsuya and Homma، نويسنده , , Shigetsugu and Maeda، نويسنده , , Hiromitsu and Furuta، نويسنده , , Hiroyuki and Kobayashi، نويسنده , , Nagao، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
4
From page
495
To page
498
Abstract
A plus-to-minus MCD sign in ascending energy has been detected for the Q bands of the copper(III) complexes of doubly N-confused porphyrin (cis- and trans-1). An unusual ΔHOMO < ΔLUMO relationship for tetrapyrrolic porphyrins was calculated using the HF, DFT, and semi-empirical methods. By applying the Michl’s perimeter model, the observed MCD pattern was successfully explained by the computational results.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1924594
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