采用计算化学分析三氧化二铬红外谱图

Computational Chemistry Method for Analyzing Infrared Spectrum of Chromium Oxide

通过对三氧化二铬红外谱图的计算,得出结论:三氧化二铬具有吸收红外光特性,属于中红外范围。另外,三氧化二铬中的Cr具有顺磁性。它只有9个振动方式。基本上是晶体状态。在9个振动方式中,有一种对应的红外吸收强度较大。说明:三氧化二铬的分子结构是由2个三角锥型所组成。2个相邻的振动方式之间存在时间间隔,且它们之间存在相互转化作用。

Basing on calculations on the Infrared spectrum of chromium oxide,a conclusion is drawn as the follows：chromium oxide has the feature of absorbing medium Infrared light;in addition,Cr within chromium oxide is paramagnetic;total nine vibrational modes are given;among them,one can absorb Infrared light with the biggest strength;the molecule is a crystal;it shows the molecular shape is composed of two pyramids;there are time intervals between two neighboring vibrational modes;also they have conversion acts between each other.