Study of Electronic Bands of Diatomic Molecules for the Evaluation of Toxicity of Green Crackers Using LIBS Coupled with Chemometric Method

Darpan Dubey, Rohit Kumar, A. Dwivedi, A. K. Rai
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Abstract

Laser-induced Breakdown Spectroscopy (LIBS) is primarily an atomic emission spectroscopic method based on analyzing the spectral lines of elements in the laser-induced plasma. However, when the plasma cools down after its ignition, i.e., when one collects the emissions from the plasma after a certain interval of time/gate delay (~1 micro-second), the signature of the electronic bands of diatomic molecules is also observed along with ionic/atomic emission lines. The present manuscript reports the evaluation of toxicity/pollutants in green crackers based on the intensity of the electronic bands of the Aluminum Oxide (AlO), calcium oxide (CaO), and strontium oxide (SrO) molecules observed in the laser-induced plasma of the firecrackers. LIBS spectra of the green crackers show the presence of spectral lines of the heavy/toxic elements such as Al, Ca, Sr, Cr, Cu, and Ba, along with the electronic bands of the AlO, CaO, and SrO. Fourier Transform Infra-Red Spectroscopy (FTIR) has been used to validate the LIBS results and confirm the molecules in these crackers. The concentration of toxic elements in green crackers such as Aluminum (Al), Copper (Cu), and Chromium (Cr) has also been estimated using the Partial Least Square Regression method (PLSR) to evaluate and compare the extent of the toxicity of green crackers.
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用LIBS -化学计量法研究双原子分子的电子带评价绿饼干的毒性
激光诱导击穿光谱(LIBS)主要是一种基于分析激光诱导等离子体中元素谱线的原子发射光谱方法。然而,当等离子体在点火后冷却下来,即当人们在一定时间间隔/栅极延迟(~1微秒)后收集等离子体的发射时,还可以观察到双原子分子的电子带的特征以及离子/原子发射线。根据激光诱导等离子体中观察到的氧化铝(AlO)、氧化钙(CaO)和氧化锶(SrO)分子的电子带强度,对青花鞭炮的毒性/污染物进行了评价。绿脆片的LIBS谱线显示出Al、Ca、Sr、Cr、Cu和Ba等重毒元素的谱线,以及AlO、CaO和SrO的电子带。傅里叶变换红外光谱(FTIR)对LIBS结果进行了验证,并确定了这些裂解物中的分子。利用偏最小二乘回归法(PLSR)对绿脆饼中铝(Al)、铜(Cu)、铬(Cr)等有毒元素的浓度进行了估计,以评价和比较绿脆饼的毒性程度。
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