The aromaticity of the chelate rings of acetylacetonato (acac) and o-benzoquinonediimine (bqdi) ligands was
investigated theoretically by calculating nucleus-independent chemical shifts (NICS). The calculations were done
for the complexes with various metals and various other ligands. The results show that acac chelate rings in none
of the complexes satisfy this magnetic criterion for aromaticity. According to the results for bqdi chelate rings, there
is only the Ru2+-bqdi chelate ring with large negative NICS values, indicating possible aromaticity by magnetic
criterion.
TY - JOUR
AU - Milčić, Miloš
AU - Ostojić, Bojana
AU - Zarić, Snežana D.
PY - 2007
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4081
AB - The aromaticity of the chelate rings of acetylacetonato (acac) and o-benzoquinonediimine (bqdi) ligands was
investigated theoretically by calculating nucleus-independent chemical shifts (NICS). The calculations were done
for the complexes with various metals and various other ligands. The results show that acac chelate rings in none
of the complexes satisfy this magnetic criterion for aromaticity. According to the results for bqdi chelate rings, there
is only the Ru2+-bqdi chelate ring with large negative NICS values, indicating possible aromaticity by magnetic
criterion.
PB - American Chemical Society (ACS)
T2 - Inorganic Chemistry
T1 - Are Chelate Rings Aromatic? Calculations of Magnetic Properties of Acetylacetonato and o-Benzoquinonediimine Chelate Rings
VL - 46
IS - 17
SP - 7109
EP - 7114
DO - 10.1021/ic062292w
ER -
@article{
author = "Milčić, Miloš and Ostojić, Bojana and Zarić, Snežana D.",
year = "2007",
abstract = "The aromaticity of the chelate rings of acetylacetonato (acac) and o-benzoquinonediimine (bqdi) ligands was
investigated theoretically by calculating nucleus-independent chemical shifts (NICS). The calculations were done
for the complexes with various metals and various other ligands. The results show that acac chelate rings in none
of the complexes satisfy this magnetic criterion for aromaticity. According to the results for bqdi chelate rings, there
is only the Ru2+-bqdi chelate ring with large negative NICS values, indicating possible aromaticity by magnetic
criterion.",
publisher = "American Chemical Society (ACS)",
journal = "Inorganic Chemistry",
title = "Are Chelate Rings Aromatic? Calculations of Magnetic Properties of Acetylacetonato and o-Benzoquinonediimine Chelate Rings",
volume = "46",
number = "17",
pages = "7109-7114",
doi = "10.1021/ic062292w"
}
Milčić, M., Ostojić, B.,& Zarić, S. D.. (2007). Are Chelate Rings Aromatic? Calculations of Magnetic Properties of Acetylacetonato and o-Benzoquinonediimine Chelate Rings. in Inorganic Chemistry
American Chemical Society (ACS)., 46(17), 7109-7114.
https://doi.org/10.1021/ic062292w
Milčić M, Ostojić B, Zarić SD. Are Chelate Rings Aromatic? Calculations of Magnetic Properties of Acetylacetonato and o-Benzoquinonediimine Chelate Rings. in Inorganic Chemistry. 2007;46(17):7109-7114.
doi:10.1021/ic062292w .
Milčić, Miloš, Ostojić, Bojana, Zarić, Snežana D., "Are Chelate Rings Aromatic? Calculations of Magnetic Properties of Acetylacetonato and o-Benzoquinonediimine Chelate Rings" in Inorganic Chemistry, 46, no. 17 (2007):7109-7114,
https://doi.org/10.1021/ic062292w . .
