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Theoretical study of UV-Vis light absorption of some impurities in alkylbenzene type liquid scintillator solvents

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Abstract

Special chemical impurities may greatly decrease the light transparency of liquid scintillator (LS) solvents in the wavelength region 350–450 nm, which is of great importance to the neutrino experiments. The absorption wavelengths and oscillator strengths of two types of impurities (thiocarbonyls and nitrobenzene derivatives) and some similar compounds were calculated using TD-DFT in three scintillator solvents (toluene, pseudocumene, and linear alkyl benzene). Influences of these impurity molecules on LS solvent’s optical transmission in 350–450 nm were analyzed and compared with each other.

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Acknowledgments

The authors are thankful for the helpful discussions and suggestions from Chen Shen-Jian, Ma Jing, Li Shu-Hua, Zou Zhi-Gang, and Li Zhao-Sheng. This work was supported in part by the National 973 Project Foundation of the Ministry of Science and Technology of China (Contract No. 2006CB808100), the project of Shanghai Synchrotron Radiation Facility (SSRF), and the project of laboratory of Nuclear Detector and Electronics, Institute of High Energy Physics, Chinese Academy of Sciences.

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Authors and Affiliations

  1. National Laboratory of Solid State Microstructures and School of physics, Nanjing University, Nanjing, 210093, China

    Pin-Wen Huang, Hui-Ying Cao, Ming Qi, Pi-Yi Li & Zai-Wei Fu

  2. Key Lab of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, 210093, China

    Cui-Cui He & Jian-Xin Li

  3. Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, China

    Ya-Yun Ding

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  1. Pin-Wen Huang
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Correspondence to Ming Qi.

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Huang, PW., Cao, HY., Qi, M. et al. Theoretical study of UV-Vis light absorption of some impurities in alkylbenzene type liquid scintillator solvents. Theor Chem Acc 129, 229–234 (2011). https://doi.org/10.1007/s00214-011-0926-8

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  • DOI: https://doi.org/10.1007/s00214-011-0926-8

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