CAJ | 학술논문

利用傅里叶变换红外吸收光谱,测量得到了异戊二烯单体分子的光谱信息,采用Gaussion 03程序,通过密度泛函方法计算得到异戊二烯的红外光谱,理论结果与实验结果符合较好.利用自制的烟雾腔模拟研究·OH自由基启动的异戊二烯光氧化过程,使用傅里叶变换红外光谱仪,测定光氧化产物的分子官能团,定性分析产物组分.结果表明产物中含有羰基化合物、C-O键化合物、醛、酮、羧酸及硝酸类有机化合物.
이용부리협변환홍외흡수광보,측량득도료이무이희단체분자적광보신식,채용Gaussion 03정서,통과밀도범함방법계산득도이무이희적홍외광보,이론결과여실험결과부합교호.이용자제적연무강모의연구·OH자유기계동적이무이희광양화과정,사용부리협변환홍외광보의,측정광양화산물적분자관능단,정성분석산물조분.결과표명산물중함유탄기화합물、C-O건화합물、철、동、최산급초산류유궤화합물.
FTIR spectra were used to measure the spectral information of isoprene.The infrared spectra were calculated by using Gaussian 03 program under density functional theory(DFT).The experimental results agree well with the theoretical values.The OH-initiated photooxidation process of isoprene was conducted by using a smog chamber system made by ourselves.The photooxidation products were detected by using FTIR method to study the functional groups and qualitatively analyze the chemical components.The results show that the photooxidation products contain carbonyl group,C-O bond compounds,aldehyde,ketone,carboxyl acid,and nitric acid compounds.