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The electron-spin magnetic moments (g-factors) of C2−, N2−, O2−, and F2− and corresponding M+X2− radicals (M=alkali metal)

✍ Scribed by Pablo J. Bruna; Friedrich Grein

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
218 KB
Volume
76
Category
Article
ISSN
0020-7608

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✦ Synopsis

Trends in the electron-spin magnetic moments g factors of the anions y y y y Ž . C , N , O , and F as stabilized in MX radicals M s alkali metal are discussed on 2 2 2 2 2

the basis of rules governing the magnetic coupling and MO theory. These expectations are compared with experimental data and our own ab initio results for M s Li, Na. For Ž . the -radicals MC and MF , the component ⌬ g parallel to the X-X bond is expected 2 2 5 w Ž .x to be slightly negative, while the corresponding in-plane ⌬ g i and out-of-plane H w Ž .x Ž y6 . ⌬ g o perpendicular components are of a few thousand ppm ppm s 10 . For the H -radicals MN and MO , ⌬ g is of large magnitude but the ⌬ g components are small. 2 2 5 H Both calculated and experimental g-shifts for MN , MO , and MF agree with the 2 2 2

Ž . predicted trends, whereas those for MC ground state do not. However, good agreement 2 of theoretical with experimental results is obtained when one considers the excited state 1 2 B of MC as carrier of the g shifts, rather than the X 2 A state.

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