Hydrogen bonding interactions on 3-Nitro Benzoeic Acid based crystals: Featuring experimental and theoretical analysis

Publish Year: 1397
نوع سند: مقاله کنفرانسی
زبان: English
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ISPTC21_124

تاریخ نمایه سازی: 30 دی 1397

Abstract:

Crystalline compounds play a promising role and revolutionises the display techniquebecause of their inherent flexibility, self-organisation and high thermal stability. Over the years,different classes of cores have been employed to design mesogens to immerge out with materialsof interesting optical and mechanical properties. Especially, the luminescent mesogens are ofparticular importance due to their potential applications H-bonding have remarkable effects onthe self-assembly and phase behaviour of liquid crystalline compounds Among the variousmolecular designs reported, synthesis of supramolecular liquid crystals by the formation ofHydrogen bonded (HB) complex of non-mesogenic and mesogenic compounds finds a great dealof importance. Along with binary complexes, a number of supra-molecular HB trimmericmesogens have been reported. Recently, the influence of the shape of the H-bonded binaryhetero-complex on the phase behaviour of supramolecular mesogenic system has been reported.Apart from linear framework, structurally anisotropic ensembles employing cholesteric hydrogenbond donor, unconventionally bent-shaped architecture, polymeric framework and modularhierarchical self-assembled liquid crystals have been reported. Such molecular complexes can beconveniently tuned to exhibit mutually enriched material properties which are otherwiseunobtainable with either of the constituents individually. A rich number of works have beenreported on the tuning of mesogenic phase behaviour employing HB liquid crystallinecomplexes. The 2,3-diamino pyridine crystals, 3-nitrobenzoic acid (PyNBA) were investigatedby using DFT and TD-DFT methods to identify the nature and influence of molecularinteractions on properties of the compounds. Spectroscopic analyses were carried out to confirmthe molecular entities in both the compounds.

Authors

Abolghasem Shameli

Department of chemistry, Omidiyeh branch of Islamic Azad university, Omidiyeh, Iran

Maedeh Karami

Department of chemistry, Tehran central branch of Islamic Azad university, Tehran, Iran