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  • 标题:Ring-Size Effects on the Stability and Spectral Shifts of Hydrogen Bonded Cyclic Ethers Complexes
  • 本地全文:下载
  • 作者:Shanshan Tang ; Narcisse T. Tsona ; Lin Du
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2018
  • 卷号:8
  • 期号:1
  • 页码:1553
  • DOI:10.1038/s41598-017-18191-3
  • 语种:English
  • 出版社:Springer Nature
  • 摘要:) for TFE-TMO/THF/THP complexes that one can conclude that their stabilities and the strength of the hydrogen bonds are nearly similar and do not show any marked dependence with the ring size of the hydrogen bond acceptor. The equilibrium constants for the complexation were determined, and atoms-in-molecules (AIM) and natural bond orbital (NBO) analyses were performed to further investigate the intermolecular interactions. Regardless of the ring size, hydrogen bonds in the complexes showed similar strength, in agreement with the observed OH-stretching red shifts.
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