@Article{JAMS-2-234,
author = {Liu , Yan-ZhiZhao , Su-RuiDong , Xiao-NingYuan , KunTang , Hui-AnZuo , Guo-FangZhu , Yuan-Cheng and Liu , Xin-Wen},
title = {Inverse Halogen Bonds Intermolecular Interactions},
journal = {Journal of Atomic and Molecular Sciences},
year = {2011},
volume = {2},
number = {3},
pages = {234--240},
abstract = {<p style="text-align: justify;">A new number of inverse halogen bonds (IXBs) intermolecular interaction system of $Y-F...DB_2 (D=C, N, O$ or $S; B=O$ and $S; Y=Cl$) have been investigated at B3LYP/6-311++$g(d, p)$ computational level. According to the BSSE corrected interaction energy, it can be concluded that the stability of the five IXBs complexes of the $ClF...DB_2$&nbsp;system increases in the order of $ClF...CS_2 &lt; ClF...CO_2 &lt; ClF...NO_2 &lt; ClF...O_3 &lt; ClF...SO_2.$ Comparing the $ClF$ monomer with ClF moiety of the complexes, the chemical shifts of F atoms all increased by a certain degree and presented a trend to downfield. This indicates that the electrons flow from $ClF$ to $DB_2 (D=C, N, O$ or $S; B=O$ or $S$) and the IXBs form between $ClF$ and $DB_2.$</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.111510.121310a},
url = {http://global-sci.org/intro/article_detail/jams/8150.html}
}