Quantum Chemical and Kinetic Study on Polychlorinated Naphthalene Formation from 3-Chlorophenol Precursor

Quantum Chemical and Kinetic Study on Polychlorinated Naphthalene Formation from 3-Chlorophenol Precursor

Polychlorinated naphthalenes (PCNs) are the smallest chlorinated polycyclic aromatic hydrocarbons (Cl-PAHs) and are often called dioxin-like compounds. Chlorophenols (CPs) are important precursors of PCN formation. In this paper, mechanistic and kinetic studies on the homogeneous gas-phase formation...

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Bibliographic Details
Main Authors: Fei Xu, Xiangli Shi, Qingzhu Zhang
Format: Article
Language:English
Published: MDPI AG 2015-08-01
Series:International Journal of Molecular Sciences
Subjects:
3-chlorophenol
polychlorinated naphthalene
formation mechanism
rate constants
density functional method
Online Access:http://www.mdpi.com/1422-0067/16/9/20620

Internet

http://www.mdpi.com/1422-0067/16/9/20620

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