Details

Autor(en) / Beteiligte

• Jin, Tong
• Zhang, Wen

Titel

Geometric H/D isotope effect in a series of organic salts involving short O-H O hydrogen bonds between carboxyl and carboxylate groups

Ist Teil von

• CrystEngComm, 2019, Vol.21 (29), p.4238-4242

Ort / Verlag

Cambridge: Royal Society of Chemistry

Erscheinungsjahr

2019

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• A series of organic salts based on the monoanion of 2,3,5,6-tetrafluoroterephthalic acid were synthesized. All the compounds show characteristic hydrogen-bonded chain structures via short O-H O hydrogen bonds between carboxyl and carboxylate groups. Upon deuteration, the overall structures of these compounds do not change. But the short O-H O hydrogen bonds exhibit noticeable elongations (0.003-0.021 Å) of the O O distance, known as a positive geometric H/D isotope effect. However, there is no definite relationship between the O O distance and the geometric H/D isotope effect due to complex intermolecular interactions between the cations and anions in the crystal structures. Further investigation reveals that there is a weak negative correlation between the O O distance and the packing effect of the cations which can be described by the plane spacing between two adjacent benzene rings of the acid. Noticeable elongations of donor-acceptor distances upon deuteration are confirmed in short O-H O hydrogen bonds between carboxyl and carboxylate groups.