There are large differences between the acidity of the enol of the acyclic diketone, 2,4-pentanedione and those of two cyclic diketones, 1,3-cyclopentanedione and 1,3-cyclohexanedione. Computational studies have demonstrated that these differences are largely due to the strength of the internal low-
✦ LIBER ✦
Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal
✍ Scribed by Shokri, Alireza; Wang, Yanping; O’Doherty, George A.; Wang, Xue-Bin; Kass, Steven R.
- Book ID
- 121372790
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 1010 KB
- Volume
- 135
- Category
- Article
- ISSN
- 0002-7863
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## Abstract The B3LYP/D95+(d,p) analysis of the uncharged low barrier hydrogen bond (LBHB) between 4‐methyl‐1__H__‐imidazole (Mim) and acetic acid (HAc) shows that uncharged LBHBs can be formed either by adding three water molecules around the cluster or by placing the Mim–HAc pair in a dielectric