Structure of Fluoromethyl Radicals. Conjugative and Inductive Effects

Fernando Bernardi; William Cherry; Sason Shaik; Nicolaos D. Epiotis

doi:10.1021/ja00473a004

Structure of Fluoromethyl Radicals. Conjugative and Inductive Effects

Fernando Bernardi^*, William Cherry, Sason Shaik, Nicolaos D. Epiotis

^*Corresponding author for this work

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

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Abstract

Factors determining the geometry of CH_nX_3-n radicals are illuminated on the basis of one-electron MO (OEMO) theory. Inductive and conjugative effects are found to be operative in fluoromethyl radicals (X=F). The relative importance of these two effects is discussed. The qualitative conclusions are supported by ab initio calculations of the fluoromethyl radicals.

Original language	English
Pages (from-to)	1352-1356
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	100
Issue number	5
DOIs	https://doi.org/10.1021/ja00473a004
State	Published - 1978
Externally published	Yes

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title = "Structure of Fluoromethyl Radicals. Conjugative and Inductive Effects",

abstract = "Factors determining the geometry of CHnX3-n radicals are illuminated on the basis of one-electron MO (OEMO) theory. Inductive and conjugative effects are found to be operative in fluoromethyl radicals (X=F). The relative importance of these two effects is discussed. The qualitative conclusions are supported by ab initio calculations of the fluoromethyl radicals.",

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year = "1978",

doi = "10.1021/ja00473a004",

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AU - Bernardi, Fernando

AU - Cherry, William

AU - Shaik, Sason

AU - Epiotis, Nicolaos D.

PY - 1978

Y1 - 1978

N2 - Factors determining the geometry of CHnX3-n radicals are illuminated on the basis of one-electron MO (OEMO) theory. Inductive and conjugative effects are found to be operative in fluoromethyl radicals (X=F). The relative importance of these two effects is discussed. The qualitative conclusions are supported by ab initio calculations of the fluoromethyl radicals.

AB - Factors determining the geometry of CHnX3-n radicals are illuminated on the basis of one-electron MO (OEMO) theory. Inductive and conjugative effects are found to be operative in fluoromethyl radicals (X=F). The relative importance of these two effects is discussed. The qualitative conclusions are supported by ab initio calculations of the fluoromethyl radicals.

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SP - 1352

EP - 1356

JO - Journal of the American Chemical Society

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Structure of Fluoromethyl Radicals. Conjugative and Inductive Effects

Abstract

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