CYCLOBUTANEDIYLS: A NEW CLASS OF LOCALIZED BIRADICALS. SYNTHESIS AND EPR SPECTROSCOPY.

Rakesh Jain, Michael Sponsler, Frank D. Coms, Dennis A. Dougherty

Research output: Contribution to journalArticle

87 Citations (Scopus)

Abstract

Nine triplet cyclobutanediyls (1) have been synthesized and observed by matrix isolation EPR spectroscopy. The zero-field splitting (zfs) parameters provide detailed information on the spin densities in these structures. The observed zfs values can be quantitatively modeled by using a straightforward semiempirical scheme, as long as one explicitly incorporates the spin polarization effects known to be important in radicals such as allyl and benzyl. In addition, interpretable hyperfine coupling (hfc) has been observed in many cyclobutanediyls. Spectral simulation produces the hfc constants, which provide further information on spin distribution and indicate that the four-membered ring in 1 is planar.

Original languageEnglish (US)
Pages (from-to)1356-1366
Number of pages11
JournalJournal of the American Chemical Society
Volume110
Issue number5
StatePublished - Mar 1988
Externally publishedYes

Fingerprint

Spin polarization
Paramagnetic resonance
Spectrum Analysis
Spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

CYCLOBUTANEDIYLS : A NEW CLASS OF LOCALIZED BIRADICALS. SYNTHESIS AND EPR SPECTROSCOPY. / Jain, Rakesh; Sponsler, Michael; Coms, Frank D.; Dougherty, Dennis A.

In: Journal of the American Chemical Society, Vol. 110, No. 5, 03.1988, p. 1356-1366.

Research output: Contribution to journalArticle

Jain, Rakesh ; Sponsler, Michael ; Coms, Frank D. ; Dougherty, Dennis A. / CYCLOBUTANEDIYLS : A NEW CLASS OF LOCALIZED BIRADICALS. SYNTHESIS AND EPR SPECTROSCOPY. In: Journal of the American Chemical Society. 1988 ; Vol. 110, No. 5. pp. 1356-1366.
@article{92ea32f91fb146fc8fd4f29365ec64d9,
title = "CYCLOBUTANEDIYLS: A NEW CLASS OF LOCALIZED BIRADICALS. SYNTHESIS AND EPR SPECTROSCOPY.",
abstract = "Nine triplet cyclobutanediyls (1) have been synthesized and observed by matrix isolation EPR spectroscopy. The zero-field splitting (zfs) parameters provide detailed information on the spin densities in these structures. The observed zfs values can be quantitatively modeled by using a straightforward semiempirical scheme, as long as one explicitly incorporates the spin polarization effects known to be important in radicals such as allyl and benzyl. In addition, interpretable hyperfine coupling (hfc) has been observed in many cyclobutanediyls. Spectral simulation produces the hfc constants, which provide further information on spin distribution and indicate that the four-membered ring in 1 is planar.",
author = "Rakesh Jain and Michael Sponsler and Coms, {Frank D.} and Dougherty, {Dennis A.}",
year = "1988",
month = "3",
language = "English (US)",
volume = "110",
pages = "1356--1366",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "5",

}

TY - JOUR

T1 - CYCLOBUTANEDIYLS

T2 - A NEW CLASS OF LOCALIZED BIRADICALS. SYNTHESIS AND EPR SPECTROSCOPY.

AU - Jain, Rakesh

AU - Sponsler, Michael

AU - Coms, Frank D.

AU - Dougherty, Dennis A.

PY - 1988/3

Y1 - 1988/3

N2 - Nine triplet cyclobutanediyls (1) have been synthesized and observed by matrix isolation EPR spectroscopy. The zero-field splitting (zfs) parameters provide detailed information on the spin densities in these structures. The observed zfs values can be quantitatively modeled by using a straightforward semiempirical scheme, as long as one explicitly incorporates the spin polarization effects known to be important in radicals such as allyl and benzyl. In addition, interpretable hyperfine coupling (hfc) has been observed in many cyclobutanediyls. Spectral simulation produces the hfc constants, which provide further information on spin distribution and indicate that the four-membered ring in 1 is planar.

AB - Nine triplet cyclobutanediyls (1) have been synthesized and observed by matrix isolation EPR spectroscopy. The zero-field splitting (zfs) parameters provide detailed information on the spin densities in these structures. The observed zfs values can be quantitatively modeled by using a straightforward semiempirical scheme, as long as one explicitly incorporates the spin polarization effects known to be important in radicals such as allyl and benzyl. In addition, interpretable hyperfine coupling (hfc) has been observed in many cyclobutanediyls. Spectral simulation produces the hfc constants, which provide further information on spin distribution and indicate that the four-membered ring in 1 is planar.

UR - http://www.scopus.com/inward/record.url?scp=0023977772&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0023977772&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0023977772

VL - 110

SP - 1356

EP - 1366

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 5

ER -