Estimation of high and low UV intensity profiles of mesogenic oxovanadium (IV) salen complexes: Doubling effect of homologue number

ABSTRACT

This article estimates the high and low UV intensity profiles of mesomorphic oxovanadium (IV) salen [VO (4-C_nH_2n+1O)₂ salen; nVLC] complexes. Structure of these complexes have been optimized using the Density functional B3LYP with 6–31 + G (d) basis set using crystallographic geometry as input. The UV absorption spectral characteristics have been estimated in the UV region by employing the DFT method. The oscillator strength (f) and vertical transition energy (E_V) have been reported corresponding to absorption wavelength (λ_max). Further, some electrochemical properties have been reported for the molecule. The doubling effect of homologue number on the reported parameters has been discussed.

KEYWORDS:

• Intensity profile
• oxovanadium
• UV absorption

Acknowledgment

The financial support rendered by the TEQIP cell, VSSUT, Burla has been gratefully acknowledged.