Aim To validate spectrum analysis of oxalyl fluoride neutral molecule (FCO) 2 and study vibrational mode of the two configuration.
目的为了验证草酰氟中性分子(FCO) 2光谱分析的结果和进一步研究2种构像的振动模式。
Preparation methods of benzoyl cyanate were reviewed. The optimal conditions of synthesis of benzoyl cyanate from benzoyl amine and oxalyl chloride were investigated.
综述了苯甲酰异氰酸酯的合成路线,并探讨了利用苯甲酰胺与草酰氯制备苯甲酰异氰酸酯的最佳反应条件。
The result shows that MP2, QCISD, B3LYP can gain the gauche and anti conformers of oxalyl iodide, which is in good agreement with configuration of oxalyl halides in experiment.