Are chelate rings aromatic? Calculations of magnetic properties of acetylacetonato and o-benzoquinonediimine chelate rings
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2007
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Izvor:
Inorganic Chemistry, 2007, 46, 17, 7109-7114Izdavač:
- Amer Chemical Soc, Washington
Finansiranje / projekti:
- Proučavanje odnosa reaktivnosti, nekovalentnih interakcija i strukture molekula i modelovanje hemijskih sistema (RS-MESTD-MPN2006-2010-142037)
DOI: 10.1021/ic062292w
ISSN: 0020-1669
PubMed: 17655219
WoS: 000248757200041
Scopus: 2-s2.0-34548277422
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Milčić, Miloš K. AU - Ostojić, Bojana D. AU - Zarić, Snežana D. PY - 2007 UR - https://cherry.chem.bg.ac.rs/handle/123456789/857 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 - Amer Chemical Soc, Washington 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 K. and Ostojić, Bojana D. 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 = "Amer Chemical Soc, Washington", 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. K., Ostojić, B. D.,& Zarić, S. D.. (2007). Are chelate rings aromatic? Calculations of magnetic properties of acetylacetonato and o-benzoquinonediimine chelate rings. in Inorganic Chemistry Amer Chemical Soc, Washington., 46(17), 7109-7114. https://doi.org/10.1021/ic062292w
Milčić MK, Ostojić BD, 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 K., Ostojić, Bojana D., 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 . .