Study on Conformation Interconversion of 3-Alkyl-4-acetyl-3,4-dihydro-2H-1,4-benzoxazines from Dynamic NMR Experiments and ab Initio Density Functional Calculations
نویسندگان
چکیده
منابع مشابه
Study on conformation interconversion of 3-alkyl-4-acetyl-3,4-dihydro-2H-1,4-benzoxazines from dynamic NMR experiments and ab initio density functional calculations.
Variable-temperature NMR experiments and ab initio density functional calculations were carried out to investigate the conformation interconversion of novel chiral 3-alkyl-3,4-dihydro-2H-benzo[1,4]oxazine derivatives. With CDCl3 as the solvent, the coalescence temperatures of H2, H3, H11, and H19 of product 1 are about 289, 304, 292, and 316 K, with the corresponding activation free energies at...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2005
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp050874d