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

Chi, Chaoxian1; Wang, Jia-Qi2,3; Hu, Han-Shi2,3; Zhang, Yang-Yang2,3; Li, Wan-Lu2,3; Meng, Luyan1; Luo, Mingbiao1; Zhou, Mingfei4; Li, Jun2,3,5

2019-10-17

10.1038/s41467-019-12767-5

Nature Communications   影响因子和分区

2041-1723

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.

SCI

英语

NI期刊

通讯

National Natural Science Foundation of China[21433005] ; National Natural Science Foundation of China[21688102] ; National Natural Science Foundation of China[21590792] ; National Natural Science Foundation of China[91426302]

Science & Technology - Other Topics

Multidisciplinary Sciences

WOS:000490701700002

NATURE PUBLISHING GROUP

Web of Science

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

Chi, Chaoxian,Wang, Jia-Qi,Hu, Han-Shi,et al. Quadruple bonding between iron and boron in the BFe(CO)(3)(-) complex[J]. Nature Communications,2019,10.

Chi, Chaoxian.,Wang, Jia-Qi.,Hu, Han-Shi.,Zhang, Yang-Yang.,Li, Wan-Lu.,...&Li, Jun.(2019).Quadruple bonding between iron and boron in the BFe(CO)(3)(-) complex.Nature Communications,10.

Chi, Chaoxian,et al."Quadruple bonding between iron and boron in the BFe(CO)(3)(-) complex".Nature Communications 10(2019).