An ESR study of an x-ray irradiated Ph3AsF2 single crystal

M. Geoffroy; J. Hwang; A. Llinares

doi:10.1063/1.442912

An ESR study of an x-ray irradiated Ph₃AsF₂ single crystal

M. Geoffroy^*
, J. Hwang
, A. Llinares

^*Corresponding author for this work

King Fahd University of Petroleum & Minerals

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

4 Scopus citations

Abstract

X-irradiation of Ph₃AsF₂ single crystals produces a radical exhibiting hyperfine coupling with one ⁷⁵As nucleus and two ¹⁹F nuclei. The three hyperfine tensors are determined and show that the unpaired electron is delocalized in 4s (17%) and 4p (55%) arsenic orbitals and in a 2p (∼12%) orbital of each fluorine atom. The ESR parameters are consistent with either Ph₂AsF₂ or Ph₃AsF ₂^- but theoretical estimates of the geometry of these two species together with the experimental angle of 135° between the principal axes of the two fluorine hyperfine coupling tensors are more in accord with the structure Ph₃AsF₂^-.

Original language	English
Pages (from-to)	5191-5194
Number of pages	4
Journal	The Journal of Chemical Physics
Volume	76
Issue number	11
DOIs	https://doi.org/10.1063/1.442912
State	Published - 1981

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.442912

Cite this

@article{f1d2733023f7410797054fd76dbed835,

title = "An ESR study of an x-ray irradiated Ph3AsF2 single crystal",

abstract = "X-irradiation of Ph3AsF2 single crystals produces a radical exhibiting hyperfine coupling with one 75As nucleus and two 19F nuclei. The three hyperfine tensors are determined and show that the unpaired electron is delocalized in 4s (17\%) and 4p (55\%) arsenic orbitals and in a 2p (∼12\%) orbital of each fluorine atom. The ESR parameters are consistent with either Ph2AsF2 or Ph3AsF 2- but theoretical estimates of the geometry of these two species together with the experimental angle of 135° between the principal axes of the two fluorine hyperfine coupling tensors are more in accord with the structure Ph3AsF2-.",

author = "M. Geoffroy and J. Hwang and A. Llinares",

year = "1981",

doi = "10.1063/1.442912",

language = "English",

volume = "76",

pages = "5191--5194",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

number = "11",

}

TY - JOUR

T1 - An ESR study of an x-ray irradiated Ph3AsF2 single crystal

AU - Geoffroy, M.

AU - Hwang, J.

AU - Llinares, A.

PY - 1981

Y1 - 1981

N2 - X-irradiation of Ph3AsF2 single crystals produces a radical exhibiting hyperfine coupling with one 75As nucleus and two 19F nuclei. The three hyperfine tensors are determined and show that the unpaired electron is delocalized in 4s (17%) and 4p (55%) arsenic orbitals and in a 2p (∼12%) orbital of each fluorine atom. The ESR parameters are consistent with either Ph2AsF2 or Ph3AsF 2- but theoretical estimates of the geometry of these two species together with the experimental angle of 135° between the principal axes of the two fluorine hyperfine coupling tensors are more in accord with the structure Ph3AsF2-.

AB - X-irradiation of Ph3AsF2 single crystals produces a radical exhibiting hyperfine coupling with one 75As nucleus and two 19F nuclei. The three hyperfine tensors are determined and show that the unpaired electron is delocalized in 4s (17%) and 4p (55%) arsenic orbitals and in a 2p (∼12%) orbital of each fluorine atom. The ESR parameters are consistent with either Ph2AsF2 or Ph3AsF 2- but theoretical estimates of the geometry of these two species together with the experimental angle of 135° between the principal axes of the two fluorine hyperfine coupling tensors are more in accord with the structure Ph3AsF2-.

UR - https://www.scopus.com/pages/publications/36749112010

U2 - 10.1063/1.442912

DO - 10.1063/1.442912

M3 - Article

AN - SCOPUS:36749112010

SN - 0021-9606

VL - 76

SP - 5191

EP - 5194

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 11