Predictive physical study of two different crystalline forms of glucose

Abstract

The GGA functional PW91 were used in order to predict the structural, electronic, optical and elastic properties of α and β of d- Glucose. Such compounds, in their solid form, are widely used in chemical and pharmaceutical industry. The pure crystalline forms of glucose α-d-glucose and β-d-glucose have the same space group (McDonald and Beevers, 1950) [1]. We note that despite the fact that the two compounds have the same space group, upon cooling, the interatomic distances change and a new compound occurs. On the other hand, the cooling also influences the physical properties (structural, elastic, electronic and optical properties). The objective of this paper is associated with the control of the physical states of molecular materials when they are subjected to polymorphic changes. The laws and physical parameters that govern these transformations remain fundamentally misunderstood.