An absolute configuration identification method for metconazole diastereomer
作者： He Rujian , Guo Dong , Fan Jun , Zhang Weiguang
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摘要: The invention discloses an absolute configuration identification method for metconazole diastereomer. includes the following steps: in inertia matrix, performing compressed tablet film-preparing on diastereomer to be measured, test a vibration circular spectrometer (VCD) under condition of instrument resolution 4 cm and modulator optimization wave number 1400 , obtaining spectrum (VCD experiment spectrum) diastereomer; then using quantum chemistry calculation software Gauss View 5.0and Gaussian 09W, after is set, respectively regarding four isomers as molecule model, calculating obtain VCD theory spectrum; comparing analyzing signal, frequency relative strength main belt spectrum, identifying configurations are identified by firstly adopting technology, rich molecular structure information,and favorable means used chiral compounds high efficiency.
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