Effect of C deuteration in forming isotopic polymorph of glycine silver nitrate

Abstract

Abstract Glycine silver nitrate (GSN) and fully deuterated GSN (FDGSN) form two isotopic polymorphs. The effect of full deuteration brought about the isotopic polymorph of GSN. In order to study the effect of partial deuteration on isotopic polymorphs, crystals of C Deuterated GSN (CDGSN) and N deuterated GSN (NDGSN) were grown. The crystal structure of C-deuterated was similar to FDGSN forming 2 dimensional polymeric structures extended along the c-axis, In CDGSN, the silver ion is mononuclear similar to that in FDGSN with no Ag-Ag coordination. N deuterated had similar crystal structure to that of GSN. The nitrate ion, the silver ion and zwitterionic glycine form a three-dimensional network unlike the case in CDGSN. The silver ion is binuclear with Ag-Ag coordination similar to that in GSN. In both crystal structures the silver ion has an oxidation state of + 1. Hirshfeld surface analysis of all the above structures were carried out using the x-ray data. The globularity parameter is similar in all the strutures. For the entire complex it is observed that FDGSN and CDGSN has similar values, which is lower than that of GSN and NDSN. The asphericity for the entire complex in the case of NDGSN and GSN are close to 0 indicating the isotropic nature where as for FDGSN and CDGSN it is near 0.36 indicating oblate nature. NDGSN and GSN have higher Ag…O interactions compared to that of CDGSN and FDGSN. NDGSN and GSN have Ag…Ag interaction, which is totally absent in CDGSN and FDGSN. Raman measurements showed the partial deuteration of the compounds. The lattice modes of GSN and NDGSN are similar, and FDGSN and CDGSN are similar, further confirming the importance the C deuteration in forming the isotopic polymorph.