Cooperativity of CH/pi and hydrogen bond interactions in HF center dot center dot center dot PyaSyenX(1)benX(2) complexes

作者：Karimi Pouya; Ebrahimi Ali; Bazzi Sophia^*

来源：Journal of the Iranian Chemical Society, 2012, 9(6): 991-998.

DOI：10.1007/s13738-012-0117-0

• T-shaped interaction
• Hydrogen bonding
• Cooperativity
• Hammett constant
• Population analysis
• Pyridine
• Benzene

A cooperativity is observed between CH/pi and hydrogen bond interactions in HF center dot center dot center dot PyaSyenX(1)benX(2) complexes. The cooperativity is more influenced by the inductive effects in comparison with the resonance effects. Increase in the electron withdrawing nature of substituents is accompanied by decrease in the cooperativity energy (E (coop)). The vital effect of the reactivity centre on the E (coop) is determined through the good relationship between sigma (para) (+) (the substituted constant estimated for the para placed reactivity center) and E (coop) values.
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• 出版日期2012-12