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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Absolute Infrared Absorption Cross Section of the Simplest Criegee Intermediate Near 1285.7 cm(-1)
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Absolute Infrared Absorption Cross Section of the Simplest Criegee Intermediate Near 1285.7 cm(-1)

机译：最简单的Criegee中间的绝对红外吸收横截面接近1285.7 cm（-1）

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摘要

The v(4) fundamental of the simplest Criegee intermediate, CH2OO, has been monitored with high-resolution infrared (IR) transient absorption spectroscopy under total pressures of 4-94 Torr. This IR spectrum provides an unambiguous identification of CH2OO and is potentially useful to determine the number density of CH2OO in various laboratory studies. Here we utilized an ultraviolet (UV) and IR coupled spectrometer to measure the UV and IR absorption spectra of CH2OO simultaneously; the absolute IR cross section can then be determined by using a known UV cross section. Due to significant pressure broadening in the studied pressure range, we integrated the IR absorption spectra between 1285.2 and 1286.4 cm(-1) (covering the Q branch), and then we converted this integrated absorbance to the absolute integral IR cross section of CH2OO (for the Q branch); its absolute value is (3.7 +/- 0.6) X 10(-19) cm.molecule(-1) or 2.2 +/- 0.4 km.mol(-1). The whole rotational band (P, Q and R branches) can be adequately simulated by using the precise spectroscopic parameters from the literature, yielding the absolute integral IR cross section (full v(4) band) to be 19.2 +/- 3.5 km.mol(-1). For a practical detection of CH2OO, this work also reports the peak cross section as a function of total pressure (4-94 Torr O-2). At low pressure ( = 4 Torr), where the pressure broadening is insignificant, the absorption cross section of the highest peak is (6.2 +/- 0.9) x 10(-18) cm(2).molecule(-1) (at the system line width of 0.004 cm(-1) fwhm).
机译：最简单的Criegee中间，CH2OO的V（4）基础，在4-94托的总压力下，高分辨率红外（IR）瞬态吸收光谱监测。该IR光谱提供了CH2OO的明确鉴定，并且可能有助于确定各种实验室研究中CH2OO的数量密度。在这里，我们利用紫外线（UV）和IR耦合光谱仪来同时测量CH2OO的UV和IR吸收光谱;然后可以通过使用已知的UV横截面来确定绝对IR横截面。由于研究的压力范围内的显着压力展现，我们将IR吸收光谱整合在1285.2和1286.4cm（-1）之间（覆盖Q分支），然后我们将这种综合吸光度转化为CH2OO的绝对整体红外横截面（对于Q分支）;其绝对值是（3.7 +/- 0.6）x 10（-19）cm.molecule（-1）或2.2 +/- 0.4 km.mol（-1）。通过使用来自文献的精确光谱参数，可以充分模拟整个旋转带（P，Q和R分支），从而产生绝对整体红外横截面（全V（4）频带）为19.2 +/- 3.5公里。 mol（-1）。对于CH2OO的实际检测，该工作还将峰值截面报告为总压力（4-94托O-2）的函数。在低压（＆ = 4托）处，其中压力展宽是微不足道的，最高峰的吸收横截面是（6.2 +/- 0.9）×10（-18）cm（2）.molecule（-1） （在0.004cm（-1）fwhm的系统线宽处）。

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