R. R. Aysin, A. V. Lalov, S. S. Bukalov, “Probing the aromaticity in 2,3-pyrido-annulated N-heterocyclic carbene and its heavier analogues”, Mendeleev Commun., 31:6 (2021), 797

Communications

Probing the aromaticity in 2,3-pyrido-annulated N-heterocyclic carbene and its heavier analogues

R. R. Aysin^a, A. V. Lalov^b, S. S. Bukalov^a

^a A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^b N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation

Аннотация: The aromaticity in 2,3-pyrido-annulated 1,3,2λ²-diazatetroles C₅H₃N(NR)₂E^II (E^II = C, Si, Ge, Sn, Pb) was studied using a set of experimental and calculated criteria: UV-VIS, Raman, ISE, NICS, GIMIC and EDDB. The data obtained indicate either a slight decrease in aromaticity (NICS, GIMIC, ISE methods) or equal aromaticity (UV-VIS, ISE methods) compared to benzo-annulated analogues C₆H₄(NR)₂E. The π-aromaticity increases down the group from Si to Pb.

Ключевые слова: tetrylenes, heavier carbene analogues, aromaticity, Raman spectroscopy, electron density of delocalized bonds, gauge- including magnetically induced currents.

Язык публикации: английский

DOI: 10.1016/j.mencom.2021.11.009

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