Quadruple bonding between iron and boron in the BFe(CO)3- complex

被引：31
作者：
Chi, Chaoxian [1 ]
Wang, Jia-Qi [2 ,3 ]
Hu, Han-Shi [2 ,3 ]
Zhang, Yang-Yang [2 ,3 ]
Li, Wan-Lu [2 ,3 ]
Meng, Luyan [1 ]
Luo, Mingbiao [1 ]
Zhou, Mingfei [4 ]
Li, Jun [2 ,3 ,5 ]
机构：
[1] East China Univ Technol, Sch Chem Biol & Mat Sci, Nanchang 330013, Jiangxi, Peoples R China
[2] Tsinghua Univ, Dept Chem, Minist Educ, Beijing 100084, Peoples R China
[3] Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China
[4] Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Dept Chem, Shanghai 200433, Peoples R China
[5] Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China
来源：
NATURE COMMUNICATIONS | 2019年 / 10卷 / 1期
基金：
中国国家自然科学基金;
关键词：
TRANSITION-METAL-COMPLEXES; GAUSSIAN-BASIS SETS; STABLE COMPOUND; MULTIPLE BONDS; MOLECULE; ELEMENTS; ATOMS; THERMOCHEMISTRY; CHEMISTRY; INSIGHTS;
D O I：
10.1038/s41467-019-12767-5
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：
While main group elements have four valence orbitals accessible for bonding, quadruple bonding to main group elements is extremely rare. Here we report that main group element boron is able to form quadruple bonding interactions with iron in the BFe(CO)(3)(-) anion complex, which has been revealed by quantum chemical investigation and identified by mass-selected infrared photodissociation spectroscopy in the gas phase. The complex is characterized to have a B-Fe(CO)(3)(-) structure of C-3v symmetry and features a B-Fe bond distance that is much shorter than that expected for a triple bond. Various chemical bonding analyses indicate that the complex involves unprecedented B(sic)Fe quadruple bonding interactions. Besides the common one electron-sharing sigma bond and two Fe -> B dative pi bonds, there is an additional weak B -> Fe dative sigma bonding interaction. This finding of the new quadruple bonding indicates that there might exist a wide range of boron-metal complexes that contain such high multiplicity of chemical bonds.
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页数：6
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