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首页> 外文期刊>The Journal of Chemical Physics >Pure rotational spectra of the CO-trans-HOCO complex
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Pure rotational spectra of the CO-trans-HOCO complex

机译:CO-反式-HOCO配合物的纯旋转光谱

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Pure rotational spectra of the CO-trans-HOCO complex have been observed by Fourier transform microwave (FTMW) and millimeter-wave FTMW double resonance spectroscopy. The complex was produced in a supersonic jet by discharging a mixture gas of CO and H _2O diluted in Ar. The molecular constants including the fine and hyperfine coupling constants have been precisely determined. The inter-molecular distance between the CO and trans-HOCO monomers has been determined by fixing the structures of the trans-HOCO and CO monomers, where this complex has the OCHO configuration with the CHO angle almost linear. The CH distance, 2.166 ?, is much shorter than those of the closed shell complexes, CO-CH _3OH and CO-H _2O. The Fermi contact constant of the proton for the complex was compared with that of the trans-HOCO monomer, leading to a conclusion that there is almost no induced effect for the spin density on the proton of HOCO by the complex formation.
机译:已通过傅立叶变换微波(FTMW)和毫米波FTMW双共振光谱法观察到了CO-trans-HOCO配合物的纯旋转光谱。通过排放稀释在Ar中的CO和H _2O的混合气体,在超音速射流中生成配合物。精确地确定了包括精细和超精细偶联常数在内的分子常数。已经通过固定反式-HOCO和CO-单体的结构来确定CO和反式-HOCO单体之间的分子间距离,其中该络合物具有OCHO构型,并且CHO角几乎是线性的。 CH距离为2.166Ω,比封闭的壳络合物CO-CH _3OH和CO-H _2O短得多。将复合物的质子的费米接触常数与反式-HOCO单体的费米接触常数进行了比较,得出的结论是,复合物的形成对HOCO的质子的自旋密度几乎没有诱导作用。

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