Unraveling hydridic-to-protonic dihydrogen bond predominance in monohydrated dodecaborate clusters.
Jiang Y, Yuan Q, Cao W, Hu Z, Yang Y, Zhong C, Yang T, Sun H, Wang XB, Sun Z.
Jiang Y, et al.
Chem Sci. 2022 Aug 12;13(34):9855-9860. doi: 10.1039/d2sc03986a. eCollection 2022 Aug 31.
Chem Sci. 2022.
PMID: 36128244
Free PMC article.
For the first time, a consistent and unambiguous picture is unraveled demonstrating that B-HH-O DHBs are superior to the conventional B-XH-O HBs, being 1.15 and 4.61 kcal mol(-1) stronger than those with X = F and I, respectively. Energy decomposition analyses revea …
For the first time, a consistent and unambiguous picture is unraveled demonstrating that B-HH-O DHBs are superior to the conventional B-XH-O …