Optical spectra, electronic structure and aromaticity of benzannulated N-heterocyclic carbene and its analogues of the type C6H4(NR)2E: (E = Si, Ge, Sn, Pb)

Rinat R Aysin; Sergey S Bukalov; Larissa A Leites; Alexander V Zabula

doi:10.1039/c7dt00356k

Optical spectra, electronic structure and aromaticity of benzannulated N-heterocyclic carbene and its analogues of the type C₆H₄(NR)₂E: (E = Si, Ge, Sn, Pb)

Dalton Trans. 2017 Jul 11;46(27):8774-8781. doi: 10.1039/c7dt00356k.

Authors

Rinat R Aysin¹, Sergey S Bukalov, Larissa A Leites, Alexander V Zabula

Affiliation

¹ Scientific and Technical Center on Raman Spectroscopy, A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilova str., Moscow 119991, Russia. buklei@ineos.ac.ru.

PMID: 28234401
DOI: 10.1039/c7dt00356k

Abstract

A series of benzannulated N-heterocyclic compounds containing divalent 14 group atoms, C₆H₄(NR)₂E^II, E = C, Si, Ge, Sn, Pb, have been studied by various experimental (vibrational and UV-vis spectroscopy) and theoretical (NICS, ISE, ACID) techniques. The methods used confirm 10 π-electron delocalization (aromaticity) in these heterocycles, however, the aromaticity sequences estimated by the criteria based on different physical properties do not coincide.