JOURNAL 2485


Organic Communications
VOLUME & ISSUE
Available Online: August 21,2022
PAGES
p.1 - 14
DOI ADDRESS
http://doi.org/10.25135/acg.oc.135.2206.2485
(DOI number will be activated after the manuscript has been available in an issue.)
STATISTICS
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AUTHORS
  • Adnan Dahadha
  • Mohammad Abunuwar
  • Mohammad Al-dhoun
  • Mohammad Hassan
  • Mohamed J. Saadh
PDF OF ARTICLE

GRAPHICAL ABSTRACT


ABSTRACT


 Tri-, tetra-bromothiophene and symmetrical di-bromo-2, 2' bithiophene derivatives were coupled efficiently with cyclohexylmagnesium bromide in the presence of iron, nickel and palladium as catalysts under optimized mild reaction conditions. Additives such as lithium chloride and bromide have been employed to enhance the efficiency of the Grignard reagent. The corresponding coupled products, which widely used as precursors or additives in photonic industries have been studied by DFT method at B3LYP/6-311++G(d,p) level of theory using Gaussian 09W to explore the global chemical reactivity descriptors and nonlinear optical activities ( NLO). According to results of NLO analysis, polarizability (α), anisotropy hyperpolarizability (Δα) and first order hyperpolarizability (β) exhibit higher value than the standard urea, which reflect a promising molecular non-linear susceptibilities indicating that compounds 4a-4f to be good candidates in the potential photonic applications.

KEYWORDS
  • Iron
  • nickel
  • palladium
  • coupling reaction
  • thiophene
  • nonlinear optical analysis

SUPPORTING INFORMATION


Supporting Information
Download File 135-OC-2206-2485-SI.pdf (2.63 MB)