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

V  Krishnasamy  and N  Babitha

doi:10.17485/ijst/2014/v7sp3.9

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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

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Indian Journal of Science and Technology

DOI: 10.17485/ijst/2014/v7sp3.9

Year: 2020, Volume: 7, Issue: Supplementary 3, Pages: 62–66

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

V. Krishnasamy* and N. Babitha

Bharath University, Selaiyur, Chennai – 600 073, Tamil Nadu, India; nadippi@gmail.com, n_babitha@rediffmail.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; then, 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. Then, 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, Conformation, NOESY, Orientation