DOI: 10.1070/MC1998v008n04ABEH000981
(Paper)
Mendeleev Commun., 1998, 8, 138-139
Ab initio study of the structure of, and double proton exchange in, 1,4-dihydroxy-2,3-diformylbuta-1,3-diene
(Note: The full text of this document is currently only available in the PDF Version )
Tatyana N. Gribanova , Ruslan M. Minyaev and Vladimir I. Minkin
Abstract
Concerted low-energy barrier (3.7 kcal mol-1) double proton exchange in 1,4-dihydroxy-2,3-diformylbuta-1,3-diene has been predicted using ab initio [MP2(fc)/6-31G**] calculations.