Preparation and Solid-State Structural, Electronic, and Magnetic Properties of the 5-Cyano-1,3-Benzene-Bridged Bis(1,2,3,5-Dithiadiazolyl) and Bis(1,2,3,5-Diselenadiazolyl) [5-CN-1,3-C6H3(CN2E2)2] (E = S, Se)
Document Type
Article
Publication Date
1-1-1993
Abstract
The preparation and solid-state characterization of the bifunctional radicals [4,4′-(5-cyanobenzene)-l,3-bis(1,2,3,5-dithiadiazolyl)] and [4,4′-(5-cyanobenzene)-l,3-bis(1,2,3,5-diselenadiazolyl)] [5-CN-1,3-C6H3(CN2E2)2] (E = S, Se) are described. The crystals of the two title compounds are isomorphous and belong to the monoclinic space group P21/c, with (for E = S) a = 7.00(2), b = 30.050(6), c = 10.713(8) Å, β = 104.80(10)°, V = 2179(6) Å 3, Z = 8 and (for E = Se) a = 7.124(4), b = 30.50(2), c = 10.874(2) Å, β = 105.46(3)°, V = 2277(2) Å3, Z = 8. The crystal structures consist of stacks of diradicals running parallel to x; radical dimerization up and down the stack generates a zigzag arrangement, as seen in the related 1,3-phenylene structures. Along the stacking axis the mean intradimer E-E contacts are 3.12 (E = S) and 3.23 Å (E = Se), while the mean interdimer E---E distances are 3.89 (E = S) and 3.91 Å (E = Se). Magnetic and conductivity data are presented and discussed in light of extended Hückel band structure calculations.
DOI
10.1021/cm00030a017
Montclair State University Digital Commons Citation
Cordes, A. Wallace; Haddon, Robert C.; Hicks, Robin G.; Kennepohl, D. K.; Oakley, Richard T.; Palstra, T. T.M.; Schneemeyer, Lynn; Scott, Syrona R.; and Waszczak, Joseph V., "Preparation and Solid-State Structural, Electronic, and Magnetic Properties of the 5-Cyano-1,3-Benzene-Bridged Bis(1,2,3,5-Dithiadiazolyl) and Bis(1,2,3,5-Diselenadiazolyl) [5-CN-1,3-C6H3(CN2E2)2] (E = S, Se)" (1993). Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works. 374.
https://digitalcommons.montclair.edu/chem-biochem-facpubs/374