Structural comparison of (CuICH3CN4·dibenzo-18-crown-6 (I) and (CuICH3CN)x (II) fluorescent copper(I) materials |
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Authors: | Jerry P Jasinski Nigam P Rath Elizabeth M Holt |
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Institution: | Department of Chemistry, Oklahoma State University, Stillwater, Okla. 74078, U.S.A. |
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Abstract: | The single crystal X-ray structures of (CuICH3CN4·dibenzo-18-crown-6 (I) and (CuICH3CN) (II) have been determined at room temperature (I) C28H36Cu4I4N4o6, monoclinic space group P21/n, a = 10.116(4), b = 18.092(8), c = 22.211(9) Å, β = 98.66(3)°, Z = 4; (II) C2H3CuIN, orthorhombic pBN21, a = 13.618(8), b =8.742(2), c = 4.298(2), Z = 4]. (I) exists as a distorted cube with copper and iodine at alternate corners, the fourth coordination site copper occupied by an acetonitrile molecule coordinated through nitrogen. The cluster contains no crystallographic symmetry element and CuCu distances average 2.770(5) Å. The dibenzo-18-crown-6 displays only second sphere type interactions with cluster. (II) displays a pleated double chain type structure with distorted rectangles of alternating Cu and I atoms sharing opposite edges in infinite array. Copper displays tetrahedral geometry by coordination to three iodine atoms and a nitrogen bound acetonitrile molecule. |
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Keywords: | Author to whom correspondence should be addressed |
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