The Conformations of 1-Thiacyclooctan-3-One Dynamic Nuclear Magnetic Resonance and Force-Field Calculation
نویسندگان
چکیده مقاله:
The 1H and natural-abundance 13C-NMR spectra of 1-thiacyclooctan-3-one (1) have been measured from 25 to -100°C. Coalescence is observed in the 1H-NMR spectra of (1) at about -80°C, and attributed to ring inversion in a boat-chair conformation, which is the predominant conformation of (1). The free energy of activation (DG¹) for this process is 9.2±0.2 kcal/mol. The 13C-NMR spectra of (1) is temperature independent.
منابع مشابه
the conformations of 1-thiacyclooctan-3-one dynamic nuclear magnetic resonance and force-field calculation
the 1h and natural-abundance 13c-nmr spectra of 1-thiacyclooctan-3-one (1) have been measured from 25 to -100°c. coalescence is observed in the 1h-nmr spectra of (1) at about -80°c, and attributed to ring inversion in a boat-chair conformation, which is the predominant conformation of (1). the free energy of activation (dg¹) for this process is 9.2±0.2 kcal/mol. the 13c-nmr spectra of (1) is te...
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عنوان ژورنال
دوره 14 شماره 1
صفحات 49- 54
تاریخ انتشار 1995-03-01
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