Amine-tetrachloromethane charge transfer complexes: a structural and computational study

Abhaya K. Mishra; Galit Parvari; Irit Cohen; Natalia Fridman; Yoav Eichen; Alex M. Szpilman

doi:https://doi.org/10.1080/00958972.2018.1498085

Amine-tetrachloromethane charge transfer complexes: a structural and computational study

Abhaya K. Mishra, Galit Parvari, Irit Cohen, Natalia Fridman, Yoav Eichen, Alex M. Szpilman

Technion - Israel Institute of Technology, Ariel University

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

Abstract

Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl₄] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.

Original language	English
Pages (from-to)	2082-2089
Number of pages	8
Journal	Journal of Coordination Chemistry
Volume	71
Issue number	11-13
DOIs	https://doi.org/10.1080/00958972.2018.1498085
State	Published - 3 Jul 2018

Keywords

Amines
charge-transfer complexes
light-induced processes
organic synthesis
tetrachloromethane

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Materials Chemistry

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https://doi.org/10.1080/00958972.2018.1498085

Cite this

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title = "Amine-tetrachloromethane charge transfer complexes: a structural and computational study",

abstract = "Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl4] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.",

keywords = "Amines, charge-transfer complexes, light-induced processes, organic synthesis, tetrachloromethane",

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TY - JOUR

T1 - Amine-tetrachloromethane charge transfer complexes

T2 - a structural and computational study

AU - Mishra, Abhaya K.

AU - Parvari, Galit

AU - Cohen, Irit

AU - Fridman, Natalia

AU - Eichen, Yoav

AU - Szpilman, Alex M.

PY - 2018/7/3

Y1 - 2018/7/3

N2 - Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl4] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.

AB - Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl4] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.

KW - Amines

KW - charge-transfer complexes

KW - light-induced processes

KW - organic synthesis

KW - tetrachloromethane

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DO - https://doi.org/10.1080/00958972.2018.1498085

M3 - مقالة

SN - 0095-8972

VL - 71

SP - 2082

EP - 2089

JO - Journal of Coordination Chemistry

JF - Journal of Coordination Chemistry

IS - 11-13

ER -

Amine-tetrachloromethane charge transfer complexes: a structural and computational study

Abstract

Keywords

All Science Journal Classification (ASJC) codes

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