| STUDIES ON ORGANOPHOSPHORUS COMPOUNDS XXXV——SUBSTITUENT EFFECT OF ORGANOPHOSPHORUS COMPOUNDS ON ~(31)P NMR SPECTROSCOPY |
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| 引用本文： | 李树森,程志毅,袁承业.STUDIES ON ORGANOPHOSPHORUS COMPOUNDS XXXV——SUBSTITUENT EFFECT OF ORGANOPHOSPHORUS COMPOUNDS ON ~(31)P NMR SPECTROSCOPY[J].中国科学B辑(英文版),1989(10). |
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| 作者姓名： | 李树森 程志毅 袁承业 |
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| 作者单位： | Shanghai Institute of Organic Chemistry，Academia Sinica，Shanghai 200032，PRC，Shanghai Institute of Organic Chemistry，Academia Sinica，Shanghai 200032，PRC，Shanghai Institute of Organic Chemistry，Academia Sinica，Shanghai 200032，PRC |
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| 摘 要： | The linear relationship between the chemical shift of the resenant nucleus and the localvan der Waals steric energy calculated by molecular mechanics with MM2 force field wasextended to various organophosphorus compounds including alkyl-phosphates, -phosphonates,-phosphinates as well as -phosphine oxides. The conformational equilibria of a series of alkylO,O-1,3--propylene-and O, O-1,4-butylenephosphonates were studied by the molecular mechanicscalculations and the dynamic ~(31)P NMR spectroscopic method. As shown by these experimentaldata, the former existed in a chair form, and the latter in a twist boat form with an equatorialalkyl group in both configurations, either in gaseous state or in non-polar solvent.
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