Spectroscopy and Spectral Analysis, Volume. 42, Issue 5, 1522(2022)
Instantaneous Emission Spectra and Mechanism Study on the Reaction of ClF3O and n-Decane
Figures & Tables(13)
Fig. 2. The CH emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
Fig. 3. The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
Fig. 4. The CH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
Fig. 5. The OH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
Fig. 6. The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the aerobics
Fig. 8. The transition state of the first step reaction of ClF3O and n-decane
Fig. 9. The reaction mechanism of ClF3O and n-decane in the absence of oxygen
Fig. 10. The reaction mechanism of ClF3O and n-decane in the presence of oxygen
Table 1. Emission peak attribution of the reaction of ClF3O and n-decane
View tableView in ArticleTable 1. Emission peak attribution of the reaction of ClF3O and n-decane
自由基 电子跃迁类型 波长/nm; 强度/Strong; Medium; Weak C2 A3Пg-X3Пu 436.2 M; 469.5 M; 471.3 M; 473.6 M 516.3 S; 512.7 S 554.1 M; 555.8 M; 563.6 M CH C2Σ--X2П 314.4 S B2Σ--X2П 387.7 M; 389.5 M A2Δ-X2П 431.4 S OH A2Σ+-X2Пi 281.5 W; 282.9 W 302.6 W; 306.8 S; 309.5 S
Table 2. The thermal effect of the reaction of ClF3O and n-decane in the absence of Oxygen
View tableView in ArticleTable 2. The thermal effect of the reaction of ClF3O and n-decane in the absence of Oxygen
反应途径 ΔH/(kJ·mol-1) ClOF3+C10H22→C10H21F+ClOF+HF -309.24 ClOF→ClO+F 27.14 ClO→Cl+O 134.62 C10H21F+F→HF+C10H20F -15.93 C10H20F→C6H11F+C4H9 95.34 C4H9→C2H5+C2H4 101.84 C6H11F+Cl→C6H10F+HCl 114.13 C6H10F→C2H5+C4H5F 31.72 C2H5+O→C2H4+OH -171.51 C2H5→C2H4+H 132.99 C4H5F+OH→C4H4F+H2O 97.31 C4H4F→C2H2+C2H2F 117.47 C2H2F→F+C2H2 81.66 C2H4+H→CH4+CH 275.89 2CH+2F→2HF+C2 -904.26 ClOF3+C10H22→HCl+C2H4+
2C2H2+2CH4+3HF+C2+H2O511.56
Table 3. The thermal effect of the reaction of ClF3O and n-decane in the presence of Oxygen
View tableView in ArticleTable 3. The thermal effect of the reaction of ClF3O and n-decane in the presence of Oxygen
反应途径 ΔH/(kJ·mol-1) ClOF3+C10H22→C10H21F+BF3+ClOF+HF -309.24 ClOF→ClO+F 27.14 ClO→Cl+O 134.62 C10H21F +F→HF+C10H20F -15.93 C10H20F→C6H11F+C4H9 109.94 C6H11F+Cl→C6H10F+HCl 49.39 C6H10F→C2H5+C4H5F 80.96 C4H9+O2→C4H9OO -83.72 C4H9OO→CH3CH2CH2CHOOH 54.36 CH3CH2CH2CHOOH→C3H7CHO+OH -127.30 C3H7CHO+HOO→C3H7CO+H2O2 12.73 C3H7CO+O→C3H7COO -319.37 C3H7COO→CO2+C3H7 -82.65 C3H7+O2→C3H6+HOO 19.46 C3H6+O→C3H5+OH 75.04 C3H5+O2→C3H5OO -40.34 C3H5OO→C3H4+HOO 135.18 C3H4+O2→CH3+HCO+CO -181.41 CH3+O2→OH+HCHO -121.42 HOO→H+O2 102.82 H+O2→OH+O 74.13 C2H5+O2→C2H4+HOO 30.18 C2H4+ OH→C2H3+H2O 58.42 C2H3+O2→HCHO+HCO -291.54 C2H3→C2H2+H 82.24 HCO+O2→HCO3 -101.40 HCO3→CO2+OH -233.22 C4H5F+OH→H2O+C4H4F 97.31 C4H4F→C2H2+C2H2F 117.47 C2H2+O2→HCHO+CO -353.25 C2H2+OH→C2H+H2O 168.40 C2H+O→CO+CH -250.96 C2H+O2→CO2+CH -301.61 C2H2F→F+C2H2 81.66 OH+HOO→H2O+O2 -920.95 HCHO+O2→CO2+H2O -390.49 2CH+2F→2HF+C2 -904.26 CH+O2→CO+OH -610.53 C2+O2→2CO -939.52 ClOF3+C10H22+8O2→3HF+HCl+4CO+
2CO2+5H2O+2C2H2+2H2O2-1739.10
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Hua YAN, Xing-hua LIU, Yong DING, Zhi ZHAO, Yong-feng LUO, Yu-hong WU, Peng YAN, Lu DONG, Da-xi WANG. Instantaneous Emission Spectra and Mechanism Study on the Reaction of ClF3O and n-Decane[J]. Spectroscopy and Spectral Analysis, 2022, 42(5): 1522
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Category: Research Articles
Received: Jul. 3, 2021
Accepted: --
Published Online: Nov. 10, 2022
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