共 50 条
Probing the aromaticity of bis(diazolo)pyrazine radical anions (vol 32, pg 732, 2022)
被引:0
|作者:
V. Lalov, Andrey
[1
]
Egorov, Mikhail P.
[1
]
Aysin, Rinat R.
[2
]
机构:
[1] Russian Acad Sci, ND Zelinsky Inst Organ Chem, Moscow 119991, Russia
[2] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119991, Russia
关键词:
EXCHANGE;
1,2,5-SELENADIAZOLES;
D O I:
10.1016/j.mencom.2022.11.008
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
The aromaticity of a series of heterocyclic radical anions of bis(diazolo)pyrazine type, X(CN)2N2(CN)2Y (X, Y = O, S, Se, Te) was explored by the methods of electron density of delocalized bonds (EDDB) and gauge-included magnetically induced currents (GIMIC). The existence of T-aromaticity that encloses the entire molecule, which was due to delocalization of seven β-electrons, was shown. The degree of aromaticity depends on the nature of the X(Y) heteroatom and varies in the series S > O > Se > Te. © 2022
引用
收藏
页码:141 / 141
页数:1
相关论文