An investigation of H-atom positions in sulfuric acid crystal structures.
Hydrogen conformations in crystalline H2SO4.8H2O and H2SO4.6.5H2O have been studied using a system developed by Hirsch [(2003), Z. Anorg. Allg. Chem. 629, 666-672]. New H-atom coordinates, as estimated from DFT calculations, are given for these structures.
Hirsch
Tomas K
TK
Department of Physical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden. tompa@physc.su.se
Ojamäe
Lars
L