THE MASS SPECTRA OF HKTEROCYCLIC CONJUGATED COMPOUND AND ITS QUANTUM CHEMICAL CALCULATIONS |
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| Authors: | Fang yaoren Lai Zhugen Liang Desheng Lu Fengcai |
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| Affiliation: | 1. Laboratory of Organic Chemistry, Beijing College of Forestry;
2. Institute of Chemistry, Academia Sinica, Beijing |
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| Abstract: | Amechanism of cleft-rate-determining-step of furfurol,furylacrylic acid,dimethylfuran,thiophene-2-aldehyde,and pyrrole-2-aldehyde is.proposed,and various quantum parameters of molecular ions of these compounds and their fragments are calculated by using CNDO/2 method.The peak-height of mass spectra is quantitatively interpreted.This method could be extended to heterocyclic conjugated compounds. |
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