Isolation of diborenes and their 90°-twisted diradical congeners

被引：57

作者：

Boehnke, Julian ^{[1
,2
]}

Dellermann, Theresa ^{[1
,2
]}

Celik, Mehmet Ali ^{[1
,2
,3
]}

Krummenacher, Ivo ^{[1
,2
]}

Dewhurst, Rian D. ^{[1
,2
]}

Demeshko, Serhiy ^{[4
]}

Ewing, William C. ^{[1
]}

Hammond, Kai ^{[1
,2
]}

Hess, Merlin ^{[1
,2
]}

Bill, Eckhard ^{[5
]}

Welz, Eileen ^{[3
]}

Roehr, Merle Is ^{[3
]}

Mitric, Roland ^{[3
]}

Engels, Bernd ^{[3
]}

Meyer, Franc ^{[4
]}

Braunschweig, Holger ^{[1
,2
]}

机构：

[1] Julius Maximilians Univ Wurzburg, Inst Inorgan Chem, D-97074 Wurzburg, Germany

[2] Julius Maximilians Univ Wurzburg, Inst Sustainable Chem & Catalysis Boron, D-97074 Wurzburg, Germany

[3] Julius Maximilians Univ Wurzburg, Inst Phys & Theoret Chem, D-97074 Wurzburg, Germany

[4] Univ Gottingen, Inst Anorgan Chem, Tammannstr 4, D-37077 Gottingen, Germany

[5] Max Planck Inst Chem Energiekonvers, Stiftstr 34-36, D-45470 Mulheim, Germany

来源：

NATURE COMMUNICATIONS | 2018年 / 9卷

基金：

欧洲研究理事会;

关键词：

MOLECULAR-ORBITAL METHODS; STATE PERTURBATION-THEORY; GAUSSIAN-TYPE BASIS; CORRELATION-ENERGY; DOUBLE-BONDS; BASIS-SETS; ELECTRON; SINGLE; THERMOCHEMISTRY; APPROXIMATION;

D O I：

10.1038/s41467-018-02998-3

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Molecules containing multiple bonds between atoms-most often in the form of olefins-are ubiquitous in nature, commerce, and science, and as such have a huge impact on everyday life. Given their prominence, over the last few decades, frequent attempts have been made to perturb the structure and reactivity of multiply-bound species through bending and twisting. However, only modest success has been achieved in the quest to completely twist double bonds in order to homolytically cleave the associated pi bond. Here, we present the isolation of double-bond-containing species based on boron, as well as their fully twisted diradical congeners, by the incorporation of attached groups with different electronic properties. The compounds comprise a structurally authenticated set of diamagnetic multiply-bound and diradical singly-bound congeners of the same class of compound.

引用

页数：7

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