π-电子缺电子空腔中非共价相互作用的相互影响：四氧杂杯[2]芳烃[2]三嗪阴离子识别的情况。
The mutual influence of non-covalent interactions in pi-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine.
机构信息
Dipartimento di Chimica, Università della Calabria, 87036 Arcavacata di Rende (CS), Italy.
出版信息
Chem Commun (Camb). 2010 Aug 28;46(32):5894-6. doi: 10.1039/c0cc01083a. Epub 2010 Jul 9.
PMID:20617263
Abstract
An accurate rationalization of the interplay between H-bonding and both anion-pi and lone-pair-pi interactions present in specific host-guest complexes, has been performed by using first principle computations. Results show that their combination leads to a cooperativity effect.
摘要
通过使用第一性原理计算，对特定主客体配合物中氢键以及阴离子-π 和孤对-π 相互作用之间的相互作用进行了精确的合理化。结果表明，它们的组合导致协同效应。
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