QSAR study on kinetics of anilines oxidation with ClO2

Zhi Yun Fan; Peng Wang; Jun Li Huang; Lei Yang; Li Qiang Su; Yong Jie Zheng; Ying Jie Li

QSAR study on kinetics of anilines oxidation with ClO₂

Zhi Yun Fan^*
, Peng Wang
, Jun Li Huang
, Lei Yang
, Li Qiang Su
, Yong Jie Zheng
, Ying Jie Li

^*Corresponding author for this work

School of Ecology and Environment

Harbin Institute of Technology
Qiqihar University

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Kinetics of reaction between ClO₂ and 10 anilines were investigated by following concentrations of anilines with HPLC. Results showed that reactions were first-order in respect to both anilines and ClO₂ and the overall reactions could be described as second-order. Rate constants of 10 anilines oxidation with ClO₂ were obtained experimentally. Effects of molecular structures of anilines on reaction rates were analyzed and QSAR model was established. The model revealed that logk correlated linearly with Hammett constants σ and molecule refractive index MR, indicating that reaction rates were determined by both electronic and spatial effects of substituents.

Original language	English
Pages (from-to)	1050-1052
Number of pages	3
Journal	Harbin Gongye Daxue Xuebao/Journal of Harbin Institute of Technology
Volume	37
Issue number	8
State	Published - Aug 2005

Keywords

Anilines
ClO
Kinetics
QSAR

Cite this

@article{f1d5bdf711214d2ba80f9d04650fb9eb,

title = "QSAR study on kinetics of anilines oxidation with ClO2",

abstract = "Kinetics of reaction between ClO2 and 10 anilines were investigated by following concentrations of anilines with HPLC. Results showed that reactions were first-order in respect to both anilines and ClO2 and the overall reactions could be described as second-order. Rate constants of 10 anilines oxidation with ClO2 were obtained experimentally. Effects of molecular structures of anilines on reaction rates were analyzed and QSAR model was established. The model revealed that logk correlated linearly with Hammett constants σ and molecule refractive index MR, indicating that reaction rates were determined by both electronic and spatial effects of substituents.",

keywords = "Anilines, ClO, Kinetics, QSAR",

author = "Fan, \{Zhi Yun\} and Peng Wang and Huang, \{Jun Li\} and Lei Yang and Su, \{Li Qiang\} and Zheng, \{Yong Jie\} and Li, \{Ying Jie\}",

year = "2005",

month = aug,

language = "英语",

volume = "37",

pages = "1050--1052",

journal = "Harbin Gongye Daxue Xuebao/Journal of Harbin Institute of Technology",

issn = "0367-6234",

publisher = "Harbin Institute of Technology",

number = "8",

}

TY - JOUR

T1 - QSAR study on kinetics of anilines oxidation with ClO2

AU - Fan, Zhi Yun

AU - Wang, Peng

AU - Huang, Jun Li

AU - Yang, Lei

AU - Su, Li Qiang

AU - Zheng, Yong Jie

AU - Li, Ying Jie

PY - 2005/8

Y1 - 2005/8

N2 - Kinetics of reaction between ClO2 and 10 anilines were investigated by following concentrations of anilines with HPLC. Results showed that reactions were first-order in respect to both anilines and ClO2 and the overall reactions could be described as second-order. Rate constants of 10 anilines oxidation with ClO2 were obtained experimentally. Effects of molecular structures of anilines on reaction rates were analyzed and QSAR model was established. The model revealed that logk correlated linearly with Hammett constants σ and molecule refractive index MR, indicating that reaction rates were determined by both electronic and spatial effects of substituents.

AB - Kinetics of reaction between ClO2 and 10 anilines were investigated by following concentrations of anilines with HPLC. Results showed that reactions were first-order in respect to both anilines and ClO2 and the overall reactions could be described as second-order. Rate constants of 10 anilines oxidation with ClO2 were obtained experimentally. Effects of molecular structures of anilines on reaction rates were analyzed and QSAR model was established. The model revealed that logk correlated linearly with Hammett constants σ and molecule refractive index MR, indicating that reaction rates were determined by both electronic and spatial effects of substituents.

KW - Anilines

KW - ClO

KW - Kinetics

KW - QSAR

UR - https://www.scopus.com/pages/publications/25144512557

M3 - 文章

AN - SCOPUS:25144512557

SN - 0367-6234

VL - 37

SP - 1050

EP - 1052

JO - Harbin Gongye Daxue Xuebao/Journal of Harbin Institute of Technology

JF - Harbin Gongye Daxue Xuebao/Journal of Harbin Institute of Technology

IS - 8

ER -

QSAR study on kinetics of anilines oxidation with ClO₂

Abstract

Keywords

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