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Minghui Zheng - One of the best experts on this subject based on the ideXlab platform.
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contamination and emission factors of pcdd fs unintentional pcbs hxcbz pecbz and polychlorophenols in Chloranil in china
Chemosphere, 2012Co-Authors: Wenbin Liu, Fang Tao, Wenjing Zhang, Minghui ZhengAbstract:The production of Chloranil is regarded as a potentially significant source of unintentional POPs. This research aimed to identify the contamination levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), polychlorinated biphenyls (PCBs), hexachlorobenzene (HxCBz), pentachlorobenzene (PeCBz) and polychlorophenols in Chloranil samples and identify the formation pathways. The toxicity equivalent (TEQ) values for PCDD/Fs in the Chloranil samples ranged from 163 to 1540200 pg I-TEQ g(-1), while the PCB TEQ values ranged from 1.9 to 3.3 pg WHO-TEQ g(-1). High levels of HxCBz, PeCBz and polychlorophenols were also detected in the Chloranil samples. The average emission factors were 522.2 mg I-TEQ t(-1) (PCDD/Fs), 0.0026 mg WHO-TEQ (PCBs), 32.6 mg t(-1) (HxCBz), and 136.6 mg t(-1) (PeCBz). The PCDD/Fs and PCBs are thought to be formed from the polychlorophenols and polychlorobenzenes generated during the Chloranil production process. Purification of the Chloranil products can reduce the unintentional POPs releases and protect the environment. (C) 2011 Elsevier Ltd. All rights reserved.
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Contamination and emission factors of PCDD/Fs, unintentional PCBs, HxCBz, PeCBz and polychlorophenols in Chloranil in China
Chemosphere, 2011Co-Authors: Wenbin Liu, Fang Tao, Wenjing Zhang, Minghui ZhengAbstract:The production of Chloranil is regarded as a potentially significant source of unintentional POPs. This research aimed to identify the contamination levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), polychlorinated biphenyls (PCBs), hexachlorobenzene (HxCBz), pentachlorobenzene (PeCBz) and polychlorophenols in Chloranil samples and identify the formation pathways. The toxicity equivalent (TEQ) values for PCDD/Fs in the Chloranil samples ranged from 163 to 1540200 pg I-TEQ g(-1), while the PCB TEQ values ranged from 1.9 to 3.3 pg WHO-TEQ g(-1). High levels of HxCBz, PeCBz and polychlorophenols were also detected in the Chloranil samples. The average emission factors were 522.2 mg I-TEQ t(-1) (PCDD/Fs), 0.0026 mg WHO-TEQ (PCBs), 32.6 mg t(-1) (HxCBz), and 136.6 mg t(-1) (PeCBz). The PCDD/Fs and PCBs are thought to be formed from the polychlorophenols and polychlorobenzenes generated during the Chloranil production process. Purification of the Chloranil products can reduce the unintentional POPs releases and protect the environment. (C) 2011 Elsevier Ltd. All rights reserved.
Sumanta Bhattacharya - One of the best experts on this subject based on the ideXlab platform.
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ab initio and tddft investigations on charge transfer transition for the o Chloranil aniline complex in gas phase
Chemical Physics Letters, 2007Co-Authors: Sumanta BhattacharyaAbstract:Abstract The present Letter deals with the theoretical investigations of the o -Chloranil/aniline complex in gas phase employing ab initio and time-dependent density functional theory methods. The dipole moment vector is directed from aniline to the o -Chloranil in o -Chloranil/aniline complex. The two O atoms of o -Chloranil are found to be oriented towards the –NH 2 group of aniline and C O bond length increases upon complexation with aniline. The charge transfer (CT) transition energy of the o -Chloranil/aniline complex corroborates fairly well with the reported experimental value. Frontier molecular orbital calculations reveal a strong propensity of photo-induced electron transfer in o -Chloranil/aniline CT complex.
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Ab initio and TDDFT investigations on charge transfer transition for the o-Chloranil/aniline complex in gas phase
Chemical Physics Letters, 2007Co-Authors: Sumanta BhattacharyaAbstract:Abstract The present Letter deals with the theoretical investigations of the o -Chloranil/aniline complex in gas phase employing ab initio and time-dependent density functional theory methods. The dipole moment vector is directed from aniline to the o -Chloranil in o -Chloranil/aniline complex. The two O atoms of o -Chloranil are found to be oriented towards the –NH 2 group of aniline and C O bond length increases upon complexation with aniline. The charge transfer (CT) transition energy of the o -Chloranil/aniline complex corroborates fairly well with the reported experimental value. Frontier molecular orbital calculations reveal a strong propensity of photo-induced electron transfer in o -Chloranil/aniline CT complex.
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study of electron donor acceptor complex formation of o Chloranil with a series of phosphine oxides and tri n butyl phosphate by the absorption spectrometric method
Journal of Solution Chemistry, 2006Co-Authors: Sumanta Bhattacharya, Kalyan Ghosh, Sukalyan Basu, Shrabanti Banerjee, Manas BanerjeeAbstract:Electron donor–acceptor (EDA) complex formation of o-Chloranil with six different phosphine oxides and tri-n-butyl phosphate (TBP) has been studied in CCl 4 solution by the UV-VIS absorption spectrophotometric technique. An absorption band due to a charge–transfer (CT) transition is observed in the visible region. Utilizing the CT transition energy, the electron affinity of o-Chloranil in solution has been calculated. Degrees of charge transfer, and oscillator and transition dipole strengths have also been calculated for all of the investigated EDA complexes. Except for TBP, other phosphine oxides, viz., tri-n-octyl phosphine oxide, tri-n-butyl phosphine oxide, triphenyl phosphine, octyl(phenyl)-N,N-diisobutylcarbamoylphosphine oxide, octyl(phenyl)-N,N-dicyclohexylcarbamoylmethylphosphine oxide and octyl(phenyl)-N,N-diisopropylcarbamoylmethylphosphine oxide have been shown to form stable 1:1 EDA complexes with o-Chloranil. The complex of TBP with o-Chloranil decays slowly into a secondary product. Formation constants of the EDA complexes have been determined.
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Study of Electron Donor–Acceptor Complex Formation of o-Chloranil With a Series of Phosphine Oxides and Tri- n-butyl Phosphate by the Absorption Spectrometric Method
Journal of Solution Chemistry, 2006Co-Authors: Sumanta Bhattacharya, Shrabanti Bhattacharya Banerjee, Kalyan Ghosh, Sukalyan Basu, Manas BanerjeeAbstract:Electron donor–acceptor (EDA) complex formation of o -Chloranil with six different phosphine oxides and tri- n -butyl phosphate (TBP) has been studied in CCl _4 solution by the UV-VIS absorption spectrophotometric technique. An absorption band due to a charge–transfer (CT) transition is observed in the visible region. Utilizing the CT transition energy, the electron affinity of o -Chloranil in solution has been calculated. Degrees of charge transfer, and oscillator and transition dipole strengths have also been calculated for all of the investigated EDA complexes. Except for TBP, other phosphine oxides, viz ., tri- n -octyl phosphine oxide, tri- n -butyl phosphine oxide, triphenyl phosphine, octyl(phenyl)- N , N -diisobutylcarbamoylphosphine oxide, octyl(phenyl)- N , N -dicyclohexylcarbamoylmethylphosphine oxide and octyl(phenyl)- N , N -diisopropylcarbamoylmethylphosphine oxide have been shown to form stable 1:1 EDA complexes with o -Chloranil. The complex of TBP with o -Chloranil decays slowly into a secondary product. Formation constants of the EDA complexes have been determined.
Wenbin Liu - One of the best experts on this subject based on the ideXlab platform.
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contamination and emission factors of pcdd fs unintentional pcbs hxcbz pecbz and polychlorophenols in Chloranil in china
Chemosphere, 2012Co-Authors: Wenbin Liu, Fang Tao, Wenjing Zhang, Minghui ZhengAbstract:The production of Chloranil is regarded as a potentially significant source of unintentional POPs. This research aimed to identify the contamination levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), polychlorinated biphenyls (PCBs), hexachlorobenzene (HxCBz), pentachlorobenzene (PeCBz) and polychlorophenols in Chloranil samples and identify the formation pathways. The toxicity equivalent (TEQ) values for PCDD/Fs in the Chloranil samples ranged from 163 to 1540200 pg I-TEQ g(-1), while the PCB TEQ values ranged from 1.9 to 3.3 pg WHO-TEQ g(-1). High levels of HxCBz, PeCBz and polychlorophenols were also detected in the Chloranil samples. The average emission factors were 522.2 mg I-TEQ t(-1) (PCDD/Fs), 0.0026 mg WHO-TEQ (PCBs), 32.6 mg t(-1) (HxCBz), and 136.6 mg t(-1) (PeCBz). The PCDD/Fs and PCBs are thought to be formed from the polychlorophenols and polychlorobenzenes generated during the Chloranil production process. Purification of the Chloranil products can reduce the unintentional POPs releases and protect the environment. (C) 2011 Elsevier Ltd. All rights reserved.
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Contamination and emission factors of PCDD/Fs, unintentional PCBs, HxCBz, PeCBz and polychlorophenols in Chloranil in China
Chemosphere, 2011Co-Authors: Wenbin Liu, Fang Tao, Wenjing Zhang, Minghui ZhengAbstract:The production of Chloranil is regarded as a potentially significant source of unintentional POPs. This research aimed to identify the contamination levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), polychlorinated biphenyls (PCBs), hexachlorobenzene (HxCBz), pentachlorobenzene (PeCBz) and polychlorophenols in Chloranil samples and identify the formation pathways. The toxicity equivalent (TEQ) values for PCDD/Fs in the Chloranil samples ranged from 163 to 1540200 pg I-TEQ g(-1), while the PCB TEQ values ranged from 1.9 to 3.3 pg WHO-TEQ g(-1). High levels of HxCBz, PeCBz and polychlorophenols were also detected in the Chloranil samples. The average emission factors were 522.2 mg I-TEQ t(-1) (PCDD/Fs), 0.0026 mg WHO-TEQ (PCBs), 32.6 mg t(-1) (HxCBz), and 136.6 mg t(-1) (PeCBz). The PCDD/Fs and PCBs are thought to be formed from the polychlorophenols and polychlorobenzenes generated during the Chloranil production process. Purification of the Chloranil products can reduce the unintentional POPs releases and protect the environment. (C) 2011 Elsevier Ltd. All rights reserved.
Gunzi Saito - One of the best experts on this subject based on the ideXlab platform.
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Neutral-ionic transition in TTF-Chloranil and TMB-TCNQ
Synthetic Metals, 1991Co-Authors: Yoshihiro Iwasa, Takao Koda, I. Soga, Yasuhiro Tokura, Gunzi SaitoAbstract:Abstract We report on a new type of charge transfer transition found in 3,3′,5,5′-tetramethylbenzidine — tetracyanoquinodimethane (TMB-TCNQ). A discontinuous change of molecular ionicity has been discovered at 205K. This transition is attributable to a temperature-induced neutral-ionic phase transition at ambient pressure, next to the well-known case of TTF-Chloranil. The pressure-temperature phase diagram and characteristic features of this phase transition are discussed in comparison with those in TTF-Chloranil.
Satoshi Okazaki - One of the best experts on this subject based on the ideXlab platform.
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Channel electrode voltammetry: the kinetics of the complexation of the Chloranil radical anion with M2+ ions by waveshape analysis
Journal of Electroanalytical Chemistry, 1998Co-Authors: Jonathan A. Cooper, John A. Alden, Munetaka Oyama, Richard G. Compton, Satoshi OkazakiAbstract:Abstract Channel electrode waveshape analysis is employed to determine the rate of complexation of the radical anion of Chloranil, with Mg 2+ or Ba 2+ ions in acetonitrile solution. The presence of less than stoichiometric amounts of M 2+ results in a voltammetric wave for the reduction of Chloranil which is split into two regions. At less negative potentials, the Nernstian equilibrium of Chloranil and its radical anion is perturbed by the following reaction, resulting in current flowing at a more positive potential than with Chloranil itself. At more negative potentials, the current-voltage response reverts towards that expected for Chloranil alone once the supply of metal ion is exhausted. Analysis of the full waveshape is shown to be a sensitive method for the quantification of the complexation kinetics.
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Channel electrode voltammetry: the kinetics of the complexation of the Chloranil radical anion with M2+ ions by waveshape analysis
Journal of Electroanalytical Chemistry, 1998Co-Authors: Jonathan A. Cooper, John A. Alden, Munetaka Oyama, Richard G. Compton, Satoshi OkazakiAbstract:Channel electrode waveshape analysis is employed to determine the rate of complexation of the radical anion of Chloranil, with Mg2+ or Ba2+ ions in acetonitrile solution. The presence of less than stoichiometric amounts of M2+ results in a voltammetric wave for the reduction of Chloranil which is split into two regions. At less negative potentials, the Nernstian equilibrium of Chloranil and its radical anion is perturbed by the following reaction, resulting in current flowing at a more positive potential than with Chloranil itself. At more negative potentials, the current-voltage response reverts towards that expected for Chloranil alone once the supply of metal ion is exhausted. Analysis of the full waveshape is shown to be a sensitive method for the quantification of the complexation kinetics. © 1998 Elsevier Science S.A