Fundamental Properties of the CH···O Interaction: Is It a True Hydrogen Bond?

Ab initio calculations are used to analyze the CH···O interaction between F n H 3 - n CH as proton donor and H 2 O, CH 3 OH, and H 2 CO as acceptor. The interaction is quite weak with CH 4 as donor but is enhanced by 1 kcal/mol with each F added to the donor. The CH···O interaction behaves very much... View More