A 35Cl NQR and MNDO study of 3,5-dichloro-l,2,4-triazole and its ionic forms

نویسندگان

  • G. V. Dolgushin
  • I. M. Lazarev
  • L. I. Larina
  • V. A. Lopyrev
  • M. G. Voronkov
چکیده

Some nitrogen-containing heterocycles can form both anionic (with abstraction of the N -H proton) and cationic derivatives (with addition of the proton to the pyridinic nitrogen atom). These include, in par­ ticular, 3,5-dichloro-l,2,4-triazole and 4,5-dichloro-2methylimidazole. These compounds were studied by 35C1 NQR spectroscopy [1,2]. Quantum-chemical analyses of the electronic structure of chlorine-containing azoles and their ionic forms have not been carried out. The molecular structure of some chloro­ azoles was established by X-ray diffraction [3-5]. D ata from the X-ray study and NQR have not been compared.

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تاریخ انتشار 2013