Molecular Structure and Dissociation Characteristic of 4-Bromophenol Under External Electric Fields

Huan An; Haokui Yan; Mei Xiang; Bumaliya Abulimiti; Xingchen Wang; Jingyan Zheng

doi:10.3788/LOP202259.0302001

[1] Molina M J, Rowland F S. Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone[J]. Nature, 249, 810-812(1974).

[2] Zhang Z M. Who discovered the ozone hole?[J]. Friend of Chemical Industry, 18, 45(1999).

[3] Guan Y, Qin Y S, Liu B H. Physical properties of Freon F-22 in external electric field[J]. Journal of Jishou University (Natural Sciences Edition), 39, 26-32(2018).

[4] Liu Y Z, Li X H, Wang J F et al. Study on dissociation properties and spectra of Halon 1301 in external electric field[J]. Spectroscopy and Spectral Analysis, 37, 679-684(2017).

[5] Li J, Liu Y Z, Cheng Q Y et al. Study on the physical characteristics of the Halon-1211 under the electrical fields[J]. Journal of Atomic and Molecular Physics, 34, 1017-1024(2017).

[6] Wu H Y. Analysis of Halon substitute agent environ-ment affection and study on extinguishing system of Halon substitutes[D](2006).

[7] Li X H, Liu Y Z, Chen Y Y et al. Investigation on molecular properties of Freon 13 in external electric field[J]. Journal of Molecular Science, 34, 139-143(2018).

[8] Xu H P, Yin Y H. The molecular structure and properties of AgCl under external electric field[J]. Journal of Atomic and Molecular Physics, 33, 1-7(2016).

[9] Zhou Z Y, Liu Y Z, Li J et al. Influence of external electric field on the molecular structure and electronic spectrum of formaldehyde molecule[J]. Journal of Molecular Science, 33, 217-224(2017).

[10] Wang J P, Zhai D D, Ma P et al. Theoretical insight into the effects of external electric field on cocrystal HMX/DMI[J]. Chinese Journal of Explosives & Propellants, 43, 133-138(2020).

[11] Wu X K, Zhang S, Liang D M. Influence of external electric field on the molecular structure and electronic spectrum of 2-fluoro-5-bromopyridine molecule[J]. Journal of Atomic and Molecular Physics, 32, 579-585(2015).

[12] Duan Y Q, Liu Y Z, Li J et al. Study on physical and spectra properties of CF3I under external electrical fields[J]. Journal of Atomic and Molecular Physics, 35, 719-724(2018).

[13] Wang X Q, Liu Y Z, Li X H et al. Spectra and dissociation characteristics of methyl chloride under external electric field[J]. Journal of Atmospheric and Environmental Optics, 12, 195-201(2017).

[14] Zhang X Y, Liu Y Z, Ma X Y et al. Dissociation and physical properties of methyl iodide in external electric field[J]. Journal of University of Chinese Academy of Sciences, 35, 839-844(2018).

[15] Li Y S, Sun L X, Mei Y M et al. Structure and properties of perfluorocyclobutane under external electric field based on density functional theory[J]. Journal of Molecular Science, 36, 131-137(2020).

[16] Peng X W, Liu K M, Ouyang W et al. Synthesis of 2,5-Bis{β-[p-(6-hydroxylhexyloxy)phenyl]ethynyl}pyridine[J]. Chinese Journal of Synthetic Chemistry, 18, 747-749, 753(2010).

[17] Peng J J, Jia H G, Wang J J et al. Synthesis of substituted polyphenylacetylene cyclic trimer[J]. Guangdong Chemical Industry, 41, 1-2, 5(2014).

[18] Zhang Y. Synthesis of pharmaceutical intermediate p-hydroxyphenethyl alcohol with p-bromophenol as raw material[D](2004).

[19] Jin Y R, Liu Y Z, Duan Y Q et al. Dissociation characteristics of bromoethane under external electric fields[J]. Journal of University of Chinese Academy of Sciences, 36, 839-843(2019).

[20] Yin Y H, Wang L. Structure and properties of AgBr under an external electric field[J]. Journal of Atomic and Molecular Physics, 34, 9-15(2017).

[21] Golan R, Gelman F, Kuder T et al. Degradation of 4-bromophenol by Ochrobactrum sp. HI1 isolated from desert soil: Pathway and isotope effects[J]. Biodegradation, 30, 37-46(2019).

[22] Xu D D, Song X Z, Qi W Z et al. Degradation mechanism, kinetics, and toxicity investigation of 4-bromophenol by electrochemical reduction and oxidation with Pd-Fe/graphene catalytic cathodes[J]. Chemical Engineering Journal, 333, 477-485(2018).

[23] Sharma A, Dutta R K. Se-doped CuO NPs/H2O2/UV as a highly efficient and sustainable photo-Fenton catalytic system for enhanced degradation of 4-bromophenol[J]. Journal of Cleaner Production, 185, 464-475(2018).

[24] Grozema F C, Telesca R, Jonkman H T et al. Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory[J]. The Journal of Chemical Physics, 115, 10014-10021(2001).

[25] Kjellberg P, He Z, Pullerits T. Bacteriochlorophyll in electric field[J]. The Journal of Physical Chemistry B, 107, 13737-13742(2003).

[26] Li T, Tang Y L, Ling Z G et al. Influence of external electric field on the molecular structure and electronic spectrum of paranitrochlorobenzene[J]. Acta Physica Sinica, 62, 103103(2013).

[27] Frish M J, Trucks G W, Schlegel H B et al[CP]. Gaussian 09, Rev. C. 01.

[28] Schilf W, Szady-Chelmieniecka A, Grech E et al. Spectroscopic studies of new Schiff and Schiff-Mannich bases of ortho-derivatives of 4-bromophenol[J]. Journal of Molecular Structure, 643, 115-121(2002).

[29] Zhu Z H[M]. Atomic and molecular reaction statics(1996).

[30] Zhang X Y, Liu Y Z, Yin W Y et al. Physical properties and spectra of BrCl molecule under external electric field[J]. Chinese Journal of Computational Physics, 35, 230-234(2018).