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, Volume 9, Issue 6, pp 949–954 | Cite as

Nano-SiO 2 : An Efficient Catalyst for the Synthesis of Some new Benzimidazoles - NMR Spectral Characterization

  • S. M. Prakash
  • K. Jayamoorthy
  • N. Srinivasan
  • T. S. Rajasekar
  • B. Subash
Original Paper

Abstract

Some benzimidazoles were designed and synthesized by a new route using nano-SiO2 as a highly efficient catalyst. Synthesized compounds were characterized by 1H and 13C-NMR spectral studies. The significant features of this nanocatalyst are high yield of products, short reaction times, green reaction media and a vast range of substrates usage. Proton and 13C chemical shift of the synthesized compounds were calculated. To further confirm the compound formation single crystal XRD analysis was made and discussed for 2-(1H-benzimidazol-2-yl) phenol (1). The crystal packing features four ππ stacking interactions involving the imidazole ring, fused benzene ring and attached benzene ring system [centroid–centroid distances = 3.6106 (17), 3.6108 (17), 3.6666 (17) and 3.6668 (17) Å]. Optimization of compound 1 was performed by DFT at B3LYP/6-31G (d, p) using Gaussian-03. All these XRD data are in good agreement with the theoretical values. However, from the theoretical values it is found that most of the optimized bond lengths, bond angles and dihedral angles are slightly higher than the XRD values.

Keywords

Nano-SiO2 Benzimidazoles Chemical shift Single crystal XRD 

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Copyright information

© Springer Science+Business Media Dordrecht 2017

Authors and Affiliations

  • S. M. Prakash
    • 1
    • 2
  • K. Jayamoorthy
    • 3
  • N. Srinivasan
    • 1
    • 4
  • T. S. Rajasekar
    • 1
    • 5
  • B. Subash
    • 3
  1. 1.Research and Development CenterBharathiar UniversityCoimbatoreIndia
  2. 2.Department of ChemistryAnnamalaiar College of EngineeringMudaiyurIndia
  3. 3.Department of ChemistrySt.Joseph’s College of EngineeringChennaiIndia
  4. 4.Department of ChemistryPachiyappa’s College for MenKanchipuramIndia
  5. 5.Department of ChemistryS.K.P Engineering CollegeThiruvanamalaiIndia

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