Intramolecular motion in dibenzobarrelenephosphinyl radical: A single crystal EPR study at variable temperature

Brynda, Marcin; Berclaz, Théo; Geoffroy, Michel

doi:10.1016/S0009-2614(00)00525-X

Scientific article

English

Intramolecular motion in dibenzobarrelenephosphinyl radical: A single crystal EPR study at variable temperature

Contributors

Brynda, Marcin; Berclaz, Théo; Geoffroy, Michel

Published in

Chemical physics letters, vol. 323, no. 49, p. 474-481

Publication date

2000

Abstract

The g, 31P and 1H hyperfine tensors of the dibenzobarrelene phosphinyl radical, trapped in an X-irradiated single crystal of dibenzobarrelene phosphine, were estimated at 45 and 300 K. They indicate that among the three locations of the phosphinyl hydrogen expected from DFT calculations, only two are occupied at 40 K and that the third one remains practically vacant, even at 300 K. The temperature dependence of the EPR spectrum was simulated by assuming jumps between two P–H bond orientations (energy barrier 0.5 kcal mol−1) which correspond to the conformation of the PH2 moiety in the only rotamer present in the dibenzobarrelene phosphine crystal.

UNIGE affiliation entities

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

UNIGE research groups

Groupe Geoffroy

Citation (ISO format)

BRYNDA, Marcin, BERCLAZ, Théo, GEOFFROY, Michel. Intramolecular motion in dibenzobarrelenephosphinyl radical: A single crystal EPR study at variable temperature. In: Chemical physics letters, 2000, vol. 323, n° 49, p. 474–481. doi: 10.1016/S0009-2614(00)00525-X

Article (Published version)

Identifiers

PID : unige:3205
DOI : 10.1016/S0009-2614(00)00525-X

Additional URL for this publication

http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-40HTWJT-H-M&_cdi=5231&_orig=search&_coverDate=06%2F23%2F2000&_qd=1&_sk=996769994&wchp=dGLSzS-lSzBk&_acct=C000043220&_version=1&_userid=779890&md5=a7f86e59dc2a8a1885f54b8cb4ecdf58&ie=f.pdf

Journal ISSN

0009-2614

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Creation

21/09/2009 16:21:39

First validation

21/09/2009 16:21:39

Update

14/03/2023 15:13:52

Status update

14/03/2023 15:13:52

Last indexation

29/10/2024 12:12:18

Intramolecular motion in dibenzobarrelenephosphinyl radical: A single crystal EPR study at variable temperature

Contributors

Published in

Publication date

Abstract

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Additional URL for this publication

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation