引用本文:
李婷婷, 许兵, 俞文杰, 王雪峰. 相对论效应对AH2化合物(A=Be,Mg,Ca,Sr,Ba)构型的影响规律探讨[J]. 大学化学,
2016, 31(9): 87-90.
doi:
10.3866/PKU.DXHX201601011
Citation: LI Ting-Ting, XU Bing, YU Wen-Jie, WANG Xue-Feng. Discussion on the Relativistic Effects on Structures of AH2 (A = Be, Mg, Ca, Sr, Ba) Compounds[J]. University Chemistry, 2016, 31(9): 87-90. doi: 10.3866/PKU.DXHX201601011
Citation: LI Ting-Ting, XU Bing, YU Wen-Jie, WANG Xue-Feng. Discussion on the Relativistic Effects on Structures of AH2 (A = Be, Mg, Ca, Sr, Ba) Compounds[J]. University Chemistry, 2016, 31(9): 87-90. doi: 10.3866/PKU.DXHX201601011
相对论效应对AH2化合物(A=Be,Mg,Ca,Sr,Ba)构型的影响规律探讨
English
Discussion on the Relativistic Effects on Structures of AH2 (A = Be, Mg, Ca, Sr, Ba) Compounds
Abstract:
We report here the relativistic effects on molecular configuration. The most stable states of group IIAmetal hydride were calculated by density functional calculation and we discussed the relationship between the AH2 molecule structure and the NBO data of A―H bond. The application of the relativistic effects in hybrid orbital was concluded and some advice was given about chemical education in college.
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Key words:
- University chemistry
- / Relativistic effects
- / Hybrid orbital
- / Group IIA metal hydride
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