Ga-Ga multiple bond in Na2[Ar*GaGaAr*] (Ar* = C6H3-2,6-(C6H2-2,4,6-i-Pr3)2)
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作者:
Takagi, N
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Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, JapanTokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, Japan
Takagi, N
[1
]
Schmidt, MW
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Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, JapanTokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, Japan
Schmidt, MW
[1
]
Nagase, S
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Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, JapanTokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, Japan
Nagase, S
[1
]
机构:
[1] Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Hachioji, Tokyo 1920397, Japan
Theoretical calculations are carried out to investigate the Ga-Ga bond in the title compound, whose description as the first example of a triple bond between group 13 elements has sparked considerable interest. The short Ga-Ga bond length is found to be the result of several factors, including Na-terphenyl and terphenyl-terphenyl ionic interactions, direct Ga-Na-Ga bridge bonding, and adjustments in the C-Ga-Ga angles due to the steric requirements of the i-Pr groups on the bulky m-terphenyl ligands.