Conformationally Dependent Heavy Atom Effect of Chlorine on Alkene Triplet Lifetimes. Experimental and ab Initio Calculations

Richard A. Caldwell; Lance D. Jacobs; E. Ann Nalley; J. Laboy; T. R. Furlani; E. Ann Nalley

doi:10.1021/ja00031a013

Conformationally Dependent Heavy Atom Effect of Chlorine on Alkene Triplet Lifetimes. Experimental and ab Initio Calculations

Richard A. Caldwell
, Lance D. Jacobs
, E. Ann Nalley
, J. Laboy
, T. R. Furlani
, E. Ann Nalley

Center for Computational Research

University of Texas at Dallas
Calspan Corporation

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

24 Scopus citations

Abstract

The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit coupling.

Original language	English
Pages (from-to)	1623-1625
Number of pages	3
Journal	Journal of the American Chemical Society
Volume	114
Issue number	5
DOIs	https://doi.org/10.1021/ja00031a013
State	Published - Feb 1 1992

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title = "Conformationally Dependent Heavy Atom Effect of Chlorine on Alkene Triplet Lifetimes. Experimental and ab Initio Calculations",

abstract = "The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit coupling.",

author = "Caldwell, \{Richard A.\} and Jacobs, \{Lance D.\} and Nalley, \{E. Ann\} and J. Laboy and Furlani, \{T. R.\} and Nalley, \{E. Ann\}",

year = "1992",

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doi = "10.1021/ja00031a013",

language = "English",

volume = "114",

pages = "1623--1625",

journal = "Journal of the American Chemical Society",

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T1 - Conformationally Dependent Heavy Atom Effect of Chlorine on Alkene Triplet Lifetimes. Experimental and ab Initio Calculations

AU - Caldwell, Richard A.

AU - Jacobs, Lance D.

AU - Nalley, E. Ann

AU - Laboy, J.

AU - Furlani, T. R.

AU - Nalley, E. Ann

PY - 1992/2/1

Y1 - 1992/2/1

N2 - The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit coupling.

AB - The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit coupling.

UR - https://www.scopus.com/pages/publications/0345492635

U2 - 10.1021/ja00031a013

DO - 10.1021/ja00031a013

M3 - Article

AN - SCOPUS:0345492635

SN - 0002-7863

VL - 114

SP - 1623

EP - 1625

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 5

ER -

Conformationally Dependent Heavy Atom Effect of Chlorine on Alkene Triplet Lifetimes. Experimental and ab Initio Calculations

Abstract

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