Work

Bis(glycinium) oxalate: effect of deuteration, single crystal neutron diffraction and Raman spectroscopic studies

Year: 2024

Type: article

Abstract: The crystal structure of bis(glycinium) oxalate (BGO) is stabilized by a very strong O–H..O hydrogen bond apart from N–H…O and C-H…O hydrogen bonds. To probe the effect of deuteration on these hydrogen bonds, fully deuterated (FDBGO), C-deuterated(CDBGO), and N-deuterated bis(glycinium) oxalate (NDBGO) crystals were grown. Single crystal neutron diffraction and Raman spectroscopic studies were carried out. It was found from neutron diffraction studies that the O…O distance of the O–H…O hydrogen bond reduced on deuteration showing an inverse Ubbelohde effect. The neutron diffraction and Raman spectroscopic studies also revealed partial deuteration. The DSC studies showed no phase transition. Variation of the melting point amongst the four crystals was in a very small range from 151 to 158 °C.

Source: Structural Chemistry

DOI: 10.1007/s11224-024-02414-1

Authors: R. Chitra, R. R. Choudhury, Geogy J. Abraham

Institutions: Bhabha Atomic Research Centre, Homi Bhabha National Institute

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,690

Funder: Bhabha Atomic Research Centre