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)

被引：26
作者：
Aysin, Rinat R. [1 ]
Bukalov, Sergey S. [1 ]
Leites, Larissa A. [1 ]
Zabula, Alexander V. [2 ]
机构：
[1] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Sci & Tech Ctr Raman Spect, 28 Vavilova Str, Moscow 119991, Russia
[2] Univ Penn, Dept Chem, P Roy & Diana T Vagelos Labs, 231 S 34th St, Philadelphia, PA 19104 USA
来源：
DALTON TRANSACTIONS | 2017年 / 46卷 / 27期
关键词：
GAUSSIAN-2; G2; THEORY; UV-VIS SPECTROSCOPY; COORDINATION CHEMISTRY; BASIS-SETS; GERMYLENES; STANNYLENES; RAMAN; ATOMS; STABILIZATION; COMPLEXES;
D O I：
10.1039/c7dt00356k
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A series of benzannulated N-heterocyclic compounds containing divalent 14 group atoms, C6H4(NR)(2)E-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 pi-electron delocalization (aromaticity) in these heterocycles, however, the aromaticity sequences estimated by the criteria based on different physical properties do not coincide.
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页码：8774 / 8781
页数：8
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