Ring Currents and Magnetic Properties ofs-Indacene, an Archetypal Paratropic, Non-Antiaromatic Molecule

2002 ◽  
Vol 106 (48) ◽  
pp. 11806-11814 ◽  
Author(s):  
R. Soriano Jartín ◽  
A. Ligabue ◽  
A. Soncini ◽  
P. Lazzeretti
Keyword(s):  
Magnetic Properties ◽  
Ring Currents ◽  
Antiaromatic Molecule

Ring Currents and Magnetic Properties of C48N12 Dodecaaza[60-S6]fullerenes

ChemInform ◽  
2004 ◽  
Vol 35 (16) ◽  
Author(s):  
Rosario G. Viglione ◽  
Riccardo Zanasi
Keyword(s):  
Magnetic Properties ◽  
Ring Currents

π-Electron ring currents and magnetic properties of porphyrin molecules in the MO LCAO SCF method

1981 ◽  
Vol 59 (5) ◽  
pp. 467-485 ◽  
Author(s):  
Yuri B. Vysotsky ◽  
Valery A. Kuzmitsky ◽  
Konstantin N. Solovyov
Keyword(s):  
Magnetic Properties ◽  
Ring Currents ◽  
Electron Ring

Structure, ring currents and magnetic properties of 12b,12d,12f-triaza-12c,12e,12g-tribora-coronene

2002 ◽  
Vol 355 (5-6) ◽  
pp. 471-477 ◽  
Author(s):  
E. Steiner ◽  
P.W. Fowler ◽  
R.G. Viglione ◽  
R. Zanasi
Keyword(s):  
Magnetic Properties ◽  
Ring Currents

Ring currents and magnetic properties of pyracylene

1996 ◽  
Vol 251 (3-4) ◽  
pp. 132-140 ◽  
Author(s):  
P.W. Fowler ◽  
R. Zanasi ◽  
B. Cadioli ◽  
E. Steiner
Keyword(s):  
Magnetic Properties ◽  
Ring Currents

Ring currents and magnetic properties of C48N12dodecaaza[60-S6]fullerenes

2004 ◽  
Vol 6 (2) ◽  
pp. 295-302 ◽  
Author(s):  
Rosario G. Viglione ◽  
Riccardo Zanasi
Keyword(s):  
Magnetic Properties ◽  
Ring Currents

?-Electron ring currents and magnetic properties of porphyrin molecules in the MO LCAO SCF method

1981 ◽  
Vol 59 (5) ◽  
pp. 467-485 ◽  
Author(s):  
Yuri B. Vysotsky ◽  
Valery A. Kuzmitsky ◽  
Konstantin N. Solovyov
Keyword(s):  
Magnetic Properties ◽  
Ring Currents ◽  
Electron Ring

scholarly journals A study on the aromaticity and magnetic properties of N-confused porphyrins

2020 ◽  
Vol 7 (7) ◽  
pp. 200069
Author(s):  
Maimaitijiang Tuersun ◽  
Ablikim Kerim
Keyword(s):  
Magnetic Properties ◽  
Nitrogen Atom ◽  
Resonance Energy ◽  
Aromatic Character ◽  
Ring Currents ◽  
Topological Resonance Energy ◽  
London Model ◽  
Protonated Nitrogen Atom ◽  
Local Aromaticity

In this paper, topological resonance energy (TRE) methods were used to describe the global aromaticity of nitrogen confused porphyrin (NCP) isomers. The TRE results show that all NCP isomers exhibit lower aromaticity than the normal porphyrins, and their aromaticity decreases as the number of confused pyrrole rings in the molecule increases. In the NCPs, global aromaticity decreases as the distance between the nitrogen atoms increases. The bond resonance energy (BRE) and circuit resonance energy (CRE) indices were applied to study local aromaticity and conjugated pathways. Both the BRE and CRE indices revealed that individual pyrrolic subunits maintain their strong aromatic character and are the main source of global aromaticity. Ring currents (RC) were analysed using the Hückel–London model. RC results revealed that the macrocyclic electron conjugation pathway is the main source of diatropicity. As the number of confused pyrrole rings in the molecule increases, its diatropicity gradually decreases. In the confused pyrrole rings of the NCP isomers, the diatropic RC passing through the β -positions is always weaker than that passing through the inner sections. This is unrelated to the location of the protonated or non-protonated nitrogen atom at the periphery of the molecule and must be ascribed to the unique properties of the confused pyrrole rings.

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