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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 shu

Discussion on the Relativistic Effects on Structures of AH₂ (A = Be, Mg, Ca, Sr, Ba) Compounds

School of Chemical Science and Engineering, Tongji University, Shanghai 200092, P. R. China

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.
- University chemistry,
- Relativistic effects,
- Hybrid orbital,
- Group IIA metal hydride
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通讯作者: 陈斌, bchen63@163.com

Discussion on the Relativistic Effects on Structures of AH₂ (A = Be, Mg, Ca, Sr, Ba) Compounds