The Influence of (O, N)-Deuteration on the Crystal and Molecular Structure, Thermal Stability and Spectroscopic Properties of 1,3-Propanediammonium Hydrogenphosphate Monohydrate

• Autorzy: Bartoszak-Adamska E. , Figlerowicz M. , Wiewiórowski M. , Gustaffson T. , Olovsson I. , Jaskolski M.
• Języki publikacji: EN

Abstrakty

EN

Exchange of mobile hydrogen atoms in 1,3-propanediammonium hydrogenphosphate for deuterium (OH-OD, NH-ND) affects the thermal stability of the salt. Additionally, (O,N)-deuteration induces some unexpected changes in the -CH2-vibrations in the IR spectrum of this compound. The structure of the title compound has been determined by single crystal X-ray diffraction analysis at 290 K (protonated as well as deuterated crystals) and at 25 K (deuterated crystal). In all cases, the crystals are monoclinic, space group, P21/c. The 1,3-propanediammonium dication has the extended all-trans conformation. The structure contains a three-dimensional network of hydrogen bonds, in which all available proton donors are engaged. The phosphate groups are linked through relatively strong H bonds to form infinite chains along c. The water molecule is closely associated with these chains by donating H bonds to two consecutive phosphate units along the chain.

Słowa kluczowe

EN

crystal structure; X-ray; IR; TGA; DTG; isotope effect; temperature effect

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2000
• Tom: Vol. 74, nr 3
• Strony: 393--402

Twórcy

autor

Bartoszak-Adamska E.

autor

Figlerowicz M.

autor

Wiewiórowski M.

autor

Gustaffson T.

autor

Olovsson I.

autor

Jaskolski M.

• Department of Crystallography Faculty of Chemistry A.Mickiewicz University Grunwaldzka 6, 60-780 Poznań