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 Communjournal_title
Nature communicationsauthors
Chi C,Wang JQ,Hu HS,Zhang YY,Li WL,Meng L,Luo M,Zhou M,Li Jdoi
10.1038/s41467-019-12767-5subject
Has Abstractpub_date
2019-10-17 00:00:00pages
4713issue
1issn
2041-1723pii
10.1038/s41467-019-12767-5journal_volume
10pub_type
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