Isoelectronic Arduengo-Type Carbene Analogues with the Group IIIa Elements Boron, Aluminum, Gallium, and Indium

A Computational Study on the Kinetic Stability of Cyclic Boryl Anions~!2007-12-13~!2008-05-13~!2008-06-11~!

“…The value is calculated by DFT/6-31++G**, see ref. [26]. c. The value is calculated by MP2/6-311++G**, see ref.…”

“…A more detailed comparison between MPW1K and the previous results can be seen in Table 2 [25,26]. Furthermore, the Miller parameter ( ‡ ) is introduced (see Eq (4)) to investigate the chemical reactivities of 1a-e [27,28].…”

A Computational Study on the Kinetic Stability of Cyclic Boryl Anions~!2007-12-13~!2008-05-13~!2008-06-11~!

“…The value is calculated by DFT/6-31++G**, see ref. [26]. c. The value is calculated by MP2/6-311++G**, see ref.…”

“…A more detailed comparison between MPW1K and the previous results can be seen in Table 2 [25,26]. Furthermore, the Miller parameter ( ‡ ) is introduced (see Eq (4)) to investigate the chemical reactivities of 1a-e [27,28].…”

Boosting Low‐Valent Aluminum(I) Reactivity with a Potassium Reagent

“…[8] Recent years have seen the development of even morereactive anionic Al I complexes. Given the theoretical prediction that the anionic N-heterocyclic aluminenes [C(H)N-(R)] 2 Al À are isolobal to Arduengo carbenes and should be stable, [9] the groups of Aldridge and Goicoechea presented the first anionic Al I complex, which crystallized as a dimer with bridging K + ions (III). [10] They demonstrated its unique reactivity as exemplified by the first oxidative addition of a benzene CÀH bond to a single main-group metal center and, even more spectacular, CÀC bond cleavage in benzene.…”

Non‐Innocent Ligand Effects on Low‐Oxidation‐State Indium Complexes

“…Several previous computational investigations into group 13 N‐heterocyclic carbene (NHC) analogues have focused on analyses of anionic group 13 diazabutadiene (DAB) compounds (Figure 15) and suggest that the bonding between indium and the nitrogen atoms of the DAB ligand is primarily electrostatic in nature 10. 64–66 Notably, the anions of this type are typically synthesized by reduction of existing E II dimers related to 2 (or their isomers in the case of Ga) and cleavage of an EE bond 67…”

A Computational Study on the Kinetic Stability of Cyclic Boryl Anions~!2007-12-13~!2008-05-13~!2008-06-11~!

“…The value is calculated by DFT/6-31++G**, see ref. [26]. c. The value is calculated by MP2/6-311++G**, see ref.…”

“…A more detailed comparison between MPW1K and the previous results can be seen in Table 2 [25,26]. Furthermore, the Miller parameter ( ‡ ) is introduced (see Eq (4)) to investigate the chemical reactivities of 1a-e [27,28].…”

Boosting Low‐Valent Aluminum(I) Reactivity with a Potassium Reagent

“…[8] Recent years have seen the development of even morereactive anionic Al I complexes. Given the theoretical prediction that the anionic N-heterocyclic aluminenes [C(H)N-(R)] 2 Al À are isolobal to Arduengo carbenes and should be stable, [9] the groups of Aldridge and Goicoechea presented the first anionic Al I complex, which crystallized as a dimer with bridging K + ions (III). [10] They demonstrated its unique reactivity as exemplified by the first oxidative addition of a benzene CÀH bond to a single main-group metal center and, even more spectacular, CÀC bond cleavage in benzene.…”

Non‐Innocent Ligand Effects on Low‐Oxidation‐State Indium Complexes

“…Several previous computational investigations into group 13 N‐heterocyclic carbene (NHC) analogues have focused on analyses of anionic group 13 diazabutadiene (DAB) compounds (Figure 15) and suggest that the bonding between indium and the nitrogen atoms of the DAB ligand is primarily electrostatic in nature 10. 64–66 Notably, the anions of this type are typically synthesized by reduction of existing E II dimers related to 2 (or their isomers in the case of Ga) and cleavage of an EE bond 67…”

A Computational Study on the Kinetic Stability of Cyclic Boryl Anions~!2007-12-13~!2008-05-13~!2008-06-11~!

“…The value is calculated by DFT/6-31++G**, see ref. [26]. c. The value is calculated by MP2/6-311++G**, see ref.…”

“…A more detailed comparison between MPW1K and the previous results can be seen in Table 2 [25,26]. Furthermore, the Miller parameter ( ‡ ) is introduced (see Eq (4)) to investigate the chemical reactivities of 1a-e [27,28].…”

Boosting Low‐Valent Aluminum(I) Reactivity with a Potassium Reagent

“…[8] Recent years have seen the development of even morereactive anionic Al I complexes. Given the theoretical prediction that the anionic N-heterocyclic aluminenes [C(H)N-(R)] 2 Al À are isolobal to Arduengo carbenes and should be stable, [9] the groups of Aldridge and Goicoechea presented the first anionic Al I complex, which crystallized as a dimer with bridging K + ions (III). [10] They demonstrated its unique reactivity as exemplified by the first oxidative addition of a benzene CÀH bond to a single main-group metal center and, even more spectacular, CÀC bond cleavage in benzene.…”

Non‐Innocent Ligand Effects on Low‐Oxidation‐State Indium Complexes

“…Several previous computational investigations into group 13 N‐heterocyclic carbene (NHC) analogues have focused on analyses of anionic group 13 diazabutadiene (DAB) compounds (Figure 15) and suggest that the bonding between indium and the nitrogen atoms of the DAB ligand is primarily electrostatic in nature 10. 64–66 Notably, the anions of this type are typically synthesized by reduction of existing E II dimers related to 2 (or their isomers in the case of Ga) and cleavage of an EE bond 67…”