EPR-SPECTRUM OF CUPF3

被引：1

作者：

HISTED, M ^{[1
]}

HOWARD, JA ^{[1
]}

JONES, R ^{[1
]}

TOMIETTO, M ^{[1
]}

机构：

[1] NATL RES COUNCIL CANADA,STEACIE INST MOLEC SCI,OTTAWA K1A 0R9,ONTARIO,CANADA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 03期

关键词：

D O I：

10.1021/j100182a022

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

CuPF3 is formed from Cu atoms and PF3 on solid adamantane at 77 K in a rotating cryostat. It has the magnetic parameters a63 = 4205 +/- 10 MHz, a31 = 1100 +/- 10 MHz, a19 = 90 +/- 10 MHz, and g = 1.999 +/- 0.002, has a 2A1 electronic ground state in the point group C30, and can be considered to be a copper-centered radical and not a phosphoranyl formed by addition of a Cu atom to PF3. About 70% of the unpaired spin is located in the metal 4s orbital, 8% in the P 3s orbital, and 0.5% in the F 2s orbitals for a total unpaired spin s population of 78.5%. The remaining 21.5% of unpaired spin is probably located in the Cu 4p orbital. Cu3 is also formed in adamantane and does not appear to react with PF3. Cu7 rather than CuPF3 is formed in solid cyclohexane and is also unreactive toward PF3.

引用

页码：1141 / 1143

页数：3

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