Synthesis, Crystal Structure and Magnetic Properties of a Novel Nitroxide Biradical. Theoretical Investigation of the Exchange Mechanisms

J. Fritscher, M. Beyer, Olav Schiemann

Research output: Contribution to journalArticlepeer-review

30 Citations (Scopus)

Abstract

The novel nitroxide biradical 1,8-bis(3-ethinyl-2,2,5,5-tetramethyl-3-pyrroline-1-oxyl)-naphthalene was synthesized and its structure and magnetic properties were investigated. Using SQUID measurements an antiferromagnetic exchange coupling of 2J = -3.5 K was evaluated. Temperature-dependent measurements of the half-field EPR signal intensity and broken symmetry DIFT computations confirm this result. To unravel the mechanisms of the intramolecular exchange interaction calculations on model systems were performed. These revealed a strong ferromagnetic through-bond interaction via the 1,8-substituted naphthalene bridge and a competing strong antiferromagnetic through-space interaction via the acetylene groups. Both interactions are of the same order of magnitude leading to the weak overall coupling observed. (C) 2002 Elsevier Science B.V. All rights reserved.

Original languageEnglish
Pages (from-to)393-401
Number of pages9
JournalChemical Physics Letters
Volume364
Issue number3-4
DOIs
Publication statusPublished - 4 Oct 2002

Keywords

  • NITRONYL NITROXIDE
  • COMPLEXES
  • RESONANCE
  • BOND

Fingerprint

Dive into the research topics of 'Synthesis, Crystal Structure and Magnetic Properties of a Novel Nitroxide Biradical. Theoretical Investigation of the Exchange Mechanisms'. Together they form a unique fingerprint.

Cite this