Articles written in Pramana – Journal of Physics
Volume 71 Issue 5 November 2008 pp 929-933 Neutron Diffraction
Structural behaviour of AgNO3 at low temperatures by neutron diffraction
P U Sastry P S R Krishna Lata Panicker A B Shinde
Structural behaviour of silver nitrate (AgNO3) at low temperatures has been investigated by neutron powder diffraction and differential scanning calorimetry (DSC). Analysis showed abnormal changes in the rotations of nitrate (NO3) anions and thermal displacement parameters of the atoms near 220 K and 125 K. However, the basic lattice is compatible with the orthorhombic symmetry (space group Pbca) till 12 K. The fine, small-scale structural anomalies probably originate from freezing of reorientation of NO3 ions from high-temperature disordered phase.
Volume 96 All articles Published: 3 February 2022 Article ID 0039 Research Article
Effect of fine-tuning of intermolecular interactions on crystallisation outcome: A case study of polymorphs of 4-hydroxybenzaldehyde
RAJUL RANJAN CHOUDHURY R CHITRA V B JAYAKRISHNAN LATA PANICKER
4-Hydroxybenzaldehyde (4-HOBAL) is an important organic compound widely used in the synthesis of various polymers and pharmaceuticals. It is crystallised in two polymorphic forms, namely Form-I and Form-II. Subtle differences in intermolecular interactions between 4-HOBAL molecules in Form-I and Form-II are analysed to understand the difference in the relative stability of the two polymorphs. Packing energy at room temperature is found to be slightly more stabilising for the stable polymorphic Form-I than for the metastable polymorphic Form-II. It is demonstrated that fine-tuning of the intermolecular interactions by changing the solvent polarity can regulate the outcome of the crystallisation procedure for 4-HOBAL. Crystallites obtained from solvents with a relative polarityof more than 0.654 have Form-I whereas those obtained from solvents with polarity less than 0.654 have Form-II. Colourisation of Form-I crystallites obtained from solutions with water–acid mixtures as solvent is explained basedon the presence of hydrated 4-HOBAL molecules within these crystallites. These modified molecules act as local defects that absorb visible photons making the crystallites coloured.
Volume 97, 2023
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