Novel Cu(I) dinuclear complexes containing μ2-η2,η2-type benzoquinone ligand

Journal of the American Chemical Society

Volumn 125, Issue 5, 2003, Pages 1152-1153

  Masaoka, Shigeyuki ^a   Akiyama, George ^a   Horike, Satoshi ^a   Kitagawa, Susumu ^a   Ida, Tomohiko ^b   Endo, Kazunaka ^b  

^a KYOTO UNIVERSITY   (Japan)

^b KANAZAWA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOQUINONE DERIVATIVE; COPPER COMPLEX; PROTON;

ARTICLE; CATALYSIS; COMPLEX FORMATION; MAGNETISM; OXIDATION REDUCTION REACTION; PROTON TRANSPORT; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 0037419836     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja029023z     Document Type: Article

References (20)

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11. w = 0.067.
12. w = 0.0395.
13. w = 0.0917.
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17. The geometric structure of 3′ was taken from X-ray crystal structure of 3 by the substitution of parent pyridines for pyridyl groups from 4.4′-bpy. The molecular orbital (MO) of 3′ was calculated within B3LYP functional along with the 6-31G* bases (ref 12), using the Gaussian 98 program on an IBM RS/6000 workstation.
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20. ref are the chemical shieldings in question and the reference, respectively. The calculated chemical shift is given relative to the reference, tetramethylsilane (TMS). For TMS, we also used the 6-31G* basis in the B3LYP method, and calculated the shielding constants in CPHF method with GIAO.