Ferromagnetic behavior of linear chain electron-transfer complexes. Decamethylferrocene electron-transfer salts of 2,5-disubstituted-7,8,8,8-tetracyano-p-quinodimethanes. Magnetic characterization of (Fe(C sub 5 Me sub 5 ) sub 2 ) sup sm bullet + (TCNQI sub 2 ) sup sm bullet minus and structures of (TCNQI sub 2 ) sup n minus ( n = 0, 1, 2)

Journal Article · Wed Jul 04 00:00:00 EDT 1990 · Journal of the American Chemical Society; (USA)

DOI:https://doi.org/10.1021/ja00170a013· OSTI ID:6619217

Miller, J S; Calabrese, J C; Harlow, R L; Dixon, D A ^[1]; Zhang, J H; Reiff, W M ^[2]; Chittipeddi, S; Selover, M A; Epstein, A J ^[3]

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1. E.I. du Pont de Nemours and Co., Inc., Wilmington, DE (USA)
2. Northeastern Univ., Boston, MA (USA)
3. Ohio State Univ., Columbus (USA)

The reaction of Fe(C{sub 5}Me{sub 5}){sub 2} donor (D) and 2,5-disubstituted-7,7,8,8-tetracyano-p-quinodimethane, TCNQR{sub 2} (R = Cl, Br, I, Me, OMe, OPh) acceptor (A), results in the formation of 1:1 electron-transfer complexes of (Fe(C{sub 5}Me{sub 5}){sub 2}){sup {sm bullet}+}(TCNQR{sub 2}){sup {sm bullet}{minus}} composition. The structure of (Fe(C{sub 5}Me{sub 5}){sub 2}){sup {sm bullet}+}(TCNQI{sub 2}){sup {sm bullet}{minus}} belongs to the centrosymmetric P2{sub 1}/n space group (a = 11.131 (2) {angstrom}, b = 32.929 (5) {angstrom}, c = 8.728 (1) {angstrom}, {beta} = 105.06 (1){degree}, Z = 4, V = 3,089 {angstrom}{sup 3}, R = 3.4%; R{sub w} = 3.1% at {minus}100{degree}C). The unit cell comprises {hor ellipsis}D{sup {sm bullet}+}A{sup {sm bullet}{minus}}D{sup {sm bullet}+}A{sup {sm bullet}{minus}}D{sup {sm bullet}+}A{sup {sm bullet}{minus}}{hor ellipsis} chains along a with the intrachain Fe{sup III}{hor ellipsis}Fe{sup III} distance of 11.131 {angstrom} and the interchain Fe{sup III}{hor ellipsis}Fe{sup III} separations less than the intrachain spacing of 8.728 (in-registry) and 9.778 {angstrom} (out-of-registry). The structure of ((Co(C{sub 5}Me{sub 5}){sub 2}){sup +}){sub 2}(TCNQI{sub 2}){sup 2{minus}} belongs to the centrosymmetric P{anti 1} space group (a = 9.537 (3) {angstrom}, b = 9.880 (2) {angstrom}, c = 12.728 (1) {angstrom}, {alpha} = 85.24 (1){degree}, {beta} = 86.25 (1){degree}, {gamma} = 81.39 (2){degree}, Z = 1, V = 1,180 {angstrom}{sup 3}, R = 5.4%; R{sub w} = 5.5% at {minus}70{degree}C).

• DOE Contract Number: FG02-86ER45271
• OSTI ID: 6619217
• Journal Information: Journal of the American Chemical Society; (USA), Vol. 112:14; ISSN 0002-7863
• Country of Publication: United States
• Language: English

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400400* - Electrochemistry