引用本文:
Zheng Ting CAI, Ci Ran LI, Re Qin ZHANG. A DV-Xα QUANTUM CHEMICAL STUDY OF THE LEWIS ACIDITY SCALE OF BORON TRIHALIDES BXa(X=F,C1,Br,I)[J]. Chinese Chemical Letters,
1995, 6(11): 987-990.
Citation: Zheng Ting CAI, Ci Ran LI, Re Qin ZHANG. A DV-Xα QUANTUM CHEMICAL STUDY OF THE LEWIS ACIDITY SCALE OF BORON TRIHALIDES BXa(X=F,C1,Br,I)[J]. Chinese Chemical Letters, 1995, 6(11): 987-990.
Citation: Zheng Ting CAI, Ci Ran LI, Re Qin ZHANG. A DV-Xα QUANTUM CHEMICAL STUDY OF THE LEWIS ACIDITY SCALE OF BORON TRIHALIDES BXa(X=F,C1,Br,I)[J]. Chinese Chemical Letters, 1995, 6(11): 987-990.
A DV-Xα QUANTUM CHEMICAL STUDY OF THE LEWIS ACIDITY SCALE OF BORON TRIHALIDES BXa(X=F,C1,Br,I)
摘要:
The Lewis acidity scale of boron trihalides BXa(X=F,Cl,Br,I) has been studied by the quantum chemicsl DV-Xα approach.The dipole moments,LUMO energies and the nature of chemical bonds for these molecules have been carried out based on their density of states and orbital populations.A satisfactory interpretation of the experimental acid strength order of boron trihalides can be obtained from our calculated results.
English
A DV-Xα QUANTUM CHEMICAL STUDY OF THE LEWIS ACIDITY SCALE OF BORON TRIHALIDES BXa(X=F,C1,Br,I)
Abstract:
The Lewis acidity scale of boron trihalides BXa(X=F,Cl,Br,I) has been studied by the quantum chemicsl DV-Xα approach.The dipole moments,LUMO energies and the nature of chemical bonds for these molecules have been carried out based on their density of states and orbital populations.A satisfactory interpretation of the experimental acid strength order of boron trihalides can be obtained from our calculated results.
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