摘要
实验获得的光谱数据预言大气中能够稳定存在的含氯储仓分子应包 含硝酸氯氧.通过理论计算给出硝酸氯氧分子存在的分子结构、结合方式,在此 构型基础上计算出的分子振动频率与实验测定值较为一致,并给出了硝酸氯氧 分子稳定存在的理论依据.
Experimental obtained infrared spectrum of the products of OClO + NO3 predicated that the novel compound chlory nitrate (O2CION2) may exist in the terrestrial stratosphere. In this paper we characterize the molecular structure, vibrational frequencies by using HF and DFT menthods and compare the results with experimental data as well. The paper aims at to contribute theoretical basis for the presence of the chlory nitrate in the stratosphere.
出处
《分子科学学报》
CAS
CSCD
2000年第2期106-109,共4页
Journal of Molecular Science