崔金玉, 王丽, 蒋倩云, 王聪, 邵思佳, 张方坚. Cu(CH3COO)2分子的解离及其产物合成CuCrO2分子[J]. 云南大学学报(自然科学版), 2022, 44(2): 356-361. doi: 10.7540/j.ynu.20210333
引用本文: 崔金玉, 王丽, 蒋倩云, 王聪, 邵思佳, 张方坚. Cu(CH3COO)2分子的解离及其产物合成CuCrO2分子[J]. 云南大学学报(自然科学版), 2022, 44(2): 356-361. doi: 10.7540/j.ynu.20210333
shu
CUI Jin-yu, WANG Li, JIANG Qian-yun, WANG Cong, SHAO Si-jia, ZHANG Fang-jian. Dissociation of Cu (CH3COO)2 and synthesis of CuCrO2[J]. Journal of Yunnan University: Natural Sciences Edition, 2022, 44(2): 356-361. DOI: 10.7540/j.ynu.20210333
Citation: CUI Jin-yu, WANG Li, JIANG Qian-yun, WANG Cong, SHAO Si-jia, ZHANG Fang-jian. Dissociation of Cu (CH3COO)2 and synthesis of CuCrO2[J]. Journal of Yunnan University: Natural Sciences Edition, 2022, 44(2): 356-361. DOI: 10.7540/j.ynu.20210333
shu

Cu(CH3COO)2分子的解离及其产物合成CuCrO2分子

Dissociation of Cu (CH3COO)2 and synthesis of CuCrO2

    摘要
  • 摘要: 研究醋酸铜Cu(CH3COO)2分子的解离过程及其解离产物与三氧化二铬Cr2O3合成CuCrO2的微观过程. 采用CCSD(T)6-311++G(d,p)和M06-2x/6-311++G（d,p)方法分别计算反应物醋酸铜Cu(CH3COO)2分子单点能和频率，并计算反应物受热分解的过程，寻找解离的过渡态. 最后研究了分解产物Cu2O和Cr2O3合成铬酸铜CuCrO2分子.

     

    Abstract: In this study, the dissociation process of Cu (CH3COO)2 and its dissociation products react with dichromium trioxide Cr2O3 to synthesize CuCrO2 were studied. The single-point energy and frequency of Cu (CH3COO)2 were calculated by CCSD (t)6-311 + G (D, p) and M06-2x/6-311 + g (D, p) methods, and the thermal decomposition process of the reactant was calculated to find the transition state. Finally, the process of CuCrO2 synthesized from the decomposition products of Cr2O3 and Cu2O were studied.

     

    • HTML全文
    • 参考文献(11)
    • 相关文章
    • 施引文献
  • 资源附件(0)

/

返回文章
返回