Synthesis and Antioxidant Studies of 2,4-Dioxothiazolidine-5-acetic Acid Based Organic Salts: SC-XRD and DFT Approach
Syed Muddassir Ali Mashhadi,
Moazzam H. Bhatti,
Erum Jabeen
et al.
Abstract:In
the current study, two organic salts (1 and 2) are synthesized, and then crystalline structures
are characterized
by FTIR, UV spectroscopy, and X-ray crystallographic studies. The
organic salts 1 and 2 are optimized at the
M06/6-311G(d,p)level of theory and
further utilized for analysis of natural bond orbitals (NBOs), natural
population, frontier molecular orbitals (FMOs), and global reactivity
parameters, which confirmed the stability of the studied compounds
and charge transfer phenomenon in the studie… Show more
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