Solvent Effects on Barrier to Rotation of Enaminonitriles Using Inversion Transfer1H NMR Spectroscopy and FTIR Spectroscopy.
نویسندگان
چکیده
منابع مشابه
Computational Analysis of Solvent Effects in NMR Spectroscopy.
Solvent modeling became a standard part of first principles computations of molecular properties. However, a universal solvent approach is particularly difficult for the nuclear magnetic resonance (NMR) shielding and spin-spin coupling constants that in part result from collective delocalized properties of the solute and the environment. In this work, bulk and specific solvent effects are discu...
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In the 40 years since the inception of dynamic NMR methods, much effort has been invested to quantify and understand the barrier to rotation about the C-N bond in amides.1 Carbamates, which also exhibit the approximately planar N-CdO framework responsible for hindered rotation in amides, have received considerably less attention, although they are important biologically as anticonvulsants, loca...
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ژورنال
عنوان ژورنال: The Journal of Organic Chemistry
سال: 2002
ISSN: 0022-3263,1520-6904
DOI: 10.1021/jo023585j