A THEORETICAL STUDY OF THE EFFECT OF OXYGEN ATOM ON THE C-C BOND LENGTH AND BOND ORDER IN A SERIES OF C_2O_nY_(4-n) COMPOUNDS |
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摘 要: | <正> A series of CaOnY4-n molecules have been studied by means of MNDO method. From the results of calcuation it can be seen that the bond orders of C-C bond linked with one or more oxygen atoms are reduced while the bond lengths are increased. The main thange of C-C bond orders comes from σ-bond.
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A THEORETICAL STUDY OF THE EFFECT OF OXYGEN ATOM ON THE C-C BOND LENGTH AND BOND ORDER IN A SERIES OF C_2O_nY_(4-n) COMPOUNDS |
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Abstract: | A series of CaOnY4-n molecules have been studied by means of MNDO method. From the results of calcuation it can be seen that the bond orders of C-C bond linked with one or more oxygen atoms are reduced while the bond lengths are increased. The main thange of C-C bond orders comes from σ-bond. |
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