Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)₂]⁻

Abstract

We report the synthesis and spectroscopic characterization of the boron dicarbonyl complex [B(CO)2 ](-) . The bonding situation is analyzed and compared with the aluminum homologue [Al(CO)2 ](-) using state-of-the-art quantum chemical methods.

Observation of Main‐Group Tricarbonyls [B(CO)3] and [C(CO)3]+ Featuring a Tilted One‐Electron Donor Carbonyl Ligand

“…The analysis of the bonding situation identified C 3 O 2 as a dicarbonyl complex of carbon [C(CO) 2 ] . The same holds true for the isoelectronic boron species [B(CO) 2 ] − which was recently observed in the gas phase . The latter anion has a linear equilibrium geometry but the bonding analysis suggests that it should be considered as a complex OC→(B − )←CO rather than a cumulene O=C=(B − )=C=O.…”

“…[6] Main-group carbonyl complexes which have an end-on bondedC Ol igand are also known. [7][8][9][10][11][12][13][14][15][16][17][18][19][20] The electron deficient boron speciesa re able to coordinate one CO ligand in forming the closed-shellc arbonyl borane H 3 BCO and relatedd erivatives, which are well-known stable carbonyl compounds. [11] Very recently,ar are example of am ain-group dicarbonyl com-plex [(RB)(CO) 2 ]( Rb eing ab ulky aryl group) with two terminal carbonyl ligands that is stable under ambient conditions has been reportedb yB raunschweig and co-workers.…”

The Transition‐Metal‐Like Behavior of B2(NHC)2 in the Activation of CO: HOMO–LUMO Swap Without Photoinduction

“…[4] So far there have been enormous studies of the interaction of CO with various transition metal clusters and surfaces,b ut the study of CO with main group elements is still scarce and challenging. [9] Interestingly,D obrovetsky and Stephan developed am etalfree mixture of B(C 6 F 5 ) 3 and tBu 3 Pw hich can effectively reduce CO in syngas. [5] Bertrand and his co-workers fixed CO to stable acyclica nd cyclic alkyl amino carbenes, [6] and Braunschweig et al synthesized ab orylene dicarbonyl complex.…”

Energy decomposition analysis

“…The method has been found useful in several molecules where the nature of the bonding interactions is not obvious. The reader may find further examples in the literature …”