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

Abstract:

: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 C3v 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≣Fe quadruple bonding interactions. Besides the common one electron-sharing σ bond and two Fe→B dative π bonds, there is an additional weak B→Fe dative σ 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.

journal_name

Nat Commun

journal_title

Nature communications

authors

Chi C,Wang JQ,Hu HS,Zhang YY,Li WL,Meng L,Luo M,Zhou M,Li J

doi

10.1038/s41467-019-12767-5

subject

Has Abstract

pub_date

2019-10-17 00:00:00

pages

4713

issue

1

issn

2041-1723

pii

10.1038/s41467-019-12767-5

journal_volume

10

pub_type

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