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The nature of the Ga-Ga bonding in Na2[Arx*GaGaArx*](Arx* = C6H3-2,6-(C6H5)2) has been investigated and compared with that of in H2[Arx*GaGaArx*] using electron localization function(ELF) and orbital analysis.The calculation results show that in Na2[Arx*GaGaArx*],the Ga-Ga interaction is a non-classical triple bond,the heart of Na2[Arx*GaGaArx*] is the Ga2Na2 cluster rather than a simple Ga-Ga bond,and the contribution of the sodium atoms to the short Ga-Ga bond length is considerable.As the two sodium atoms are substituted by two hydrogen atoms,the Ga-Ga bond is replaced by two 3-center,2-electron(3c-2e) Ga-H-Ga covalent bridged bonding.
The nature of the Ga-Ga bonding in Na2 [Arx * GaGaArx *] (Arx * = C6H3-2,6- (C6H5) 2) has been investigated and compared with that of H2 [Arx * GaGaArx *] using electron localization function (ELF) and orbital analysis. The calculation results show that in Na2 [Arx * GaGaArx *], the Ga-Ga interaction is a non-classical triple bond, the heart of Na2 [Arx * GaGaArx *] is the Ga2Na2 cluster rather than a simple Ga-Ga bond, and the contribution of the sodium atoms to the short Ga-Ga bond length is considerable. As the two sodium atoms are substituted by two hydrogen atoms, the Ga-Ga bond is replaced by two 3-center , 2-electron (3c-2e) Ga-H-Ga covalent bridged bonding.