Dissociation reactions between elimination and bond scission mechanisms
Dissociation reactions between elimination and bond scission mechanisms
批准号:
318726688
负责人:
Professor Dr. Jürgen Troe
金额:
$0.0万
依托单位国家:
德国
项目类别:
Research Grants
财政年份:
2016
资助国家:
德国
项目状态:
已结题
起止时间:
2015-12-31 至 2020-12-31
中文摘要
解离过程可以通过多种途径进行,通过消除具有较低能量的刚性活化配合物的原子团或通过具有较高能量的松散活化配合物的键断裂。在低压和低温下,消除途径可能占主导地位,而在高压和高温下,键断裂途径占主导地位。到目前为止,这两种途径之间的转换还没有被记录下来。本项目打算在氟烃(C2HxF6-x, x = 1-4)的一系列解离中寻找这种转变。这些结果将通过单分子多通道过程理论的新版本进行分析。
英文摘要
Dissociation processes may proceed on a variety of pathways, through elimination of groups of atoms with rigid activated complexesat lower energies or through bond scissions with loose activated complexes at higher energies. At low pressures and low temperatures the elimination pathway may dominate while at high pressures and high temperatures the bond scission pathway takes over. Transitions between the two pathways have not been documented so far. The present project intends to search for such transitions in a series of dissociations of fluorohydrocarbons (C2HxF6-x, x = 1-4). The results will be analysed by a new version of the theory of unimolecular multichannel processes.
期刊论文(9)
专著(0)
科研奖励(0)
会议论文
登录
查看更多内容
Experimental and modelling study of the multichannel thermal dissociations of CH3F and CH2F.
CH3F和CH2F多通道热解离的实验和建模研究
DOI:
10.1039/c7cp07098e
发表时间:
2018
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
作者:
[C. J. Cobos, G. Knight, L. Sölter, E. Tellbach, J. Troe]
通讯作者:
J. Troe
Simplified Analysis and Representation of Multichannel Thermal Unimolecular Reactions.
多通道热单分子反应的简化分析和表示
DOI:
10.1021/acs.jpca.8b11656
发表时间:
2019
期刊:
The journal of physical chemistry. A
影响因子:
--
作者:
[J. Troe]
通讯作者:
J. Troe
Shock wave and modelling study of the dissociation pathways of (C2F5)3N.
(C2F5)3N解离途径的冲击波和模型研究
DOI:
10.1039/c9cp01142k
发表时间:
2019
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
作者:
[C. J. Cobos, K. Hintzer, L. Sölter, E. Tellbach, A. Thaler, J. Troe]
通讯作者:
J. Troe
DOI:
10.1039/c6cp06816b
发表时间:
2017-01
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
作者:
[C. Cobos;K. Hintzer;L. Sölter;E. Tellbach;A. Thaler;J. Troe]
通讯作者:
C. Cobos;K. Hintzer;L. Sölter;E. Tellbach;A. Thaler;J. Troe
Simplified Representation of Multichannel Thermal Unimolecular Reactions. II. Refined Parametrization of Formaldehyde Dissociation
多通道热单分子反应的简化表示 II 甲醛解离的精细参数化
DOI:
10.1515/zpch-2019-1580
发表时间:
2020
期刊:
Zeitschrift für Physikalische Chemie
影响因子:
--
作者:
[A. I. Maergoiz, J. Troe, V. G. Ushakov]
通讯作者:
V. G. Ushakov
共 9 条
Kinetics and spectroscopy of fluorine-silicon compounds
-
批准号:495852613
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2022
-
负责人:Professor Dr. Jürgen Troe
-
依托单位:
Broad falloff curves of unimolecular reactions
-
批准号:383091591
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2017
-
负责人:Professor Dr. Jürgen Troe
-
依托单位:
Geschwindigkeit chemischer Elementarprozesse bei astrochemisch relevanten tiefen Temperaturen
-
批准号:117288117
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2009
-
负责人:Professor Dr. Jürgen Troe
-
依托单位:
Kinetics of the Multi-Channel Unimolecular Dissociation of Formaldehyde
-
批准号:117782860
-
项目类别:Research Grants
-
资助金额:$0.0万
-
财政年份:2009
-
负责人:Professor Dr. Jürgen Troe
-
依托单位:
海外基金