NMR Spectral Studies of some Six-membered and Seven-membered Saturated Hetero Cyclic Compounds: Calculation of Torsional Angles from Vicinal Coupling Constants - using Altona’s Equation and its Comparison with DAERM Method

S  Rosy Christy  and G  Mathubala

doi:10.17485/ijst/2014/v7sp3.14

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NMR Spectral Studies of some Six-membered and Seven-membered Saturated Hetero Cyclic Compounds: Calculation of Torsional Angles from Vicinal Coupling Constants - using Altona’s Equation and its Comparison with DAERM Method

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Indian Journal of Science and Technology

DOI: 10.17485/ijst/2014/v7sp3.14

Year: 2020, Volume: 7, Issue: Supplementary 3, Pages: 36–42

Original Article

NMR Spectral Studies of some Six-membered and Seven-membered Saturated Hetero Cyclic Compounds: Calculation of Torsional Angles from Vicinal Coupling Constants - using Altona’s Equation and its Comparison with DAERM Method

S. Rosy Christy* and G. Mathubala

Department of Chemistry, Bharath University, Selaiyur, Chennai - 600 073, India; rosyma28@yahoo.com, madhu2705@gmail.com

This work is licensed under a Creative Commons Attribution 4.0 International License.

Abstract

Some six and seven membered saturated hetero cyclic compounds were prepared; from their vicinal coupling constants, proton - proton Torsional angles were calculated using Altona’s Equation. 1 H NMR spectra were recorded in DMSO - d6 . The chemical shifts were compared with those in CDCl3 . The COSY, NOESY and 13C-1 H correlation spectra had been recorded to assign the signals unambiguously. Thereafter, torsional angles were calculated using electronegativity values of the substituents; the electronegativity value of oxygen was taken to be 3.50. Calculations were made accurately.

Keywords:Altona’s Equation, COSY, NOESY, Orientatin, Conformation