CAJ | 학술논문

用傅立叶变换光谱仪和光学长程装置,记录了CH2C12分子振动量子数v=1～4的红外吸收光谱(1200～12000 cm-1),归属出CH的伸缩(v1,v6)振动和弯曲(v2)振动和CH2基团相对于CCl2基团的摇摆振动(v8)的泛频和合频能级共47个.考虑了摇摆振动与伸缩和弯曲振动的耦合,使用简正模模型对v1,v2,v6和v8这四种振动模式的泛频和合频能级进行了拟合,得到了非谐性常数和费米(Fermi)共振和达宁-丹尼生(Darling-Dennison)共振系数.结果表明,摇摆振动与伸缩振动之间的Fermi共振(k188=-254.63 cm-1)大于弯曲振动与伸缩振动之间的Fermi共振(k122=-54.87 cm-1);伸缩振动之间的DarlingDennison共振(k1166=-215.28 cm-1)大于弯曲振动与摇摆振动之间的Darling-Dennison共振(k2288=-5.72 cm-1).用拟合得到的光谱参数计算出CH2C12分子的振动能级,与实验数据很好地符合.
용부립협변환광보의화광학장정장치,기록료CH2C12분자진동양자수v=1～4적홍외흡수광보(1200～12000 cm-1),귀속출CH적신축(v1,v6)진동화만곡(v2)진동화CH2기단상대우CCl2기단적요파진동(v8)적범빈화합빈능급공47개.고필료요파진동여신축화만곡진동적우합,사용간정모모형대v1,v2,v6화v8저사충진동모식적범빈화합빈능급진행료의합,득도료비해성상수화비미(Fermi)공진화체저-단니생(Darling-Dennison)공진계수.결과표명,요파진동여신축진동지간적Fermi공진(k188=-254.63 cm-1)대우만곡진동여신축진동지간적Fermi공진(k122=-54.87 cm-1);신축진동지간적DarlingDennison공진(k1166=-215.28 cm-1)대우만곡진동여요파진동지간적Darling-Dennison공진(k2288=-5.72 cm-1).용의합득도적광보삼수계산출CH2C12분자적진동능급,여실험수거흔호지부합.
Infrared absorption spectra of gaseous CH2Cl2 in the regions of 1200-12000 cm-1 were measured using a Bruker IFS 120HR Fourier transform spectrometer in conjunction with a multipass cell. 47 vibrational levels of overtone and combinational spectral lines of the CH stretching (v1, v6), bending (v2), and rocking(v8) modes were analyzed and assigned. Utilizing the normal mode model and considering the coupling among CH stretching, bending and rocking vibrations, values of the harmonic frequency ωi, the anharmonic constant xij, and the coefficients of Fermi and the Darling-Dennison resonances of v1, v6, v2 and v8 modes were also determined from experimental spectral data with nonlinear least-square fitting. These spectral constants reproduced the experimental levels very well. These results showed that Fermi resonance between CH stretching and rocking vibrations (ki88=-254.63 cm-1) is stronger than that between CH stretching and bending vibrations (k122 = 54.87 cm-1); and that Darling-Dennison resonances between CH stretching and bending vibrations (k1166=-215.28 cm-1) is also much stronger than that between CH bending and rocking vibrations (k2288=-5.72 cm-1).