All-metal Baird aromaticity

被引：26

作者：

Chen, Dandan ^{[1
,2
,3
,4
,5
]}

Szczepanik, Dariusz W. ^{[4
,5
,6
]}

Zhu, Jun ^{[1
,2
,3
]}

Sola, Miquel ^{[4
,5
]}

机构：

[1] Xiamen Univ, Coll Chem & Chem Engn, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China

[2] Xiamen Univ, Coll Chem & Chem Engn, Collaborat Innovat Ctr Chem Energy Mat iChEM, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Peoples R China

[3] Xiamen Univ, Dept Chem, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China

[4] Univ Girona, Inst Computat Chem & Catalysis, C-M Aurelia Capmany 69, Girona 17003, Catalonia, Spain

[5] Univ Girona, Dept Chem, C-M Aurelia Capmany 69, Girona 17003, Catalonia, Spain

[6] Jagiellonian Univ, Fac Chem, K Guminski Dept Theoret Chem, Gronostajowa 2, PL-30387 Krakow, Poland

来源：

CHEMICAL COMMUNICATIONS | 2020年 / 56卷 / 83期

基金：

美国国家科学基金会; 欧盟地平线“2020”;

关键词：

MULTICENTER BOND INDEXES; ELECTRON DELOCALIZATION; ORGANIC-PHOTOCHEMISTRY; STATE; RING;

D O I：

10.1039/d0cc05586g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Baird's rule has been applied to a large scope of organic molecular systems for rationalizing the aromaticity reversal in the lowest-lying triplet state. In this study, we demonstrate that Baird's rule can also be extended to all-metal systems with sigma- and pi-aromaticity.

引用

页码：12522 / 12525

页数：4

共 48 条

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