EPR-SPECTRUM OF NACO

Authors
Citation
Ha. Joly et Ja. Howard, EPR-SPECTRUM OF NACO, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(15), 1997, pp. 2817-2818
Citations number
22
Categorie Soggetti
Chemistry Physical
ISSN journal
10895639
Volume
101
Issue
15
Year of publication
1997
Pages
2817 - 2818
Database
ISI
SICI code
1089-5639(1997)101:15<2817:EON>2.0.ZU;2-R
Abstract
Reaction of ground state Na atoms with (CO)-C-13 in an adamantane matr ix in a rotating cryostat at 77 K gives a mononuclear monoligand compl ex whose EPR spectrum consists of an isotropic quartet of doublets wit h a(Na) = 889 MHz, a(C-13) = 21.8 MHz, and g = 2.0015. This suggests t hat a Na atom can interact with one CO to generate NaCO with a singly occupied molecular orbital that is made up of Na 3s and C 2s orbitals with ca. 96% unpaired spin population in the Na 3s orbital.