Structures, energy bands and conductivities of (Me3NEt)[Pd(dmit)(2)](2) and (NEt4)[Pd(dmit)(2)](2)
Fang, Q; Lei, H; Liu, Z; Zhang, B; Sun, YM; Mak, TCW
AbstractThe electrical conductive molecular crystals (Me3NEt)[Pd(dmit)(2)](2). and (NEt4)[Pd (dmit)(2)](2) (dmit = 4,5-dimercapto-1,3-dithiole-2-thione) have been prepared, and their crystal structures and conductivity-temperature curves have been determined. The fact that the conductivity at room temperature of (Me3NEt)[Pd(dmit)(2)](2) (sigma = 58 Omega(-1) . cm(-1)) is much higher than that of (NEt4)[Pd(dmit)(2)](2) (sigma = 2.2 Omega(-1) . cm(-1)) has been rationally explained by the results of energy band calculations. (MeNEt3)[Pd(dmit)(2)](2) belongs to monoclinic system, P2(1)/m space group and (NEt4)[Pd(dmit)(2)](2) belongs to triclinic system, P (1) over bar space group. The structural conducting component of the crystals is the planar coordinative anion [Pd(dmit)(2)](0.5-) which forms the face-to-face dimmer [Pd(dmit)(2)](2)(-). These dimers have been further constructed to be a kind of two-dimensional (2-D) conductive molecular sheet by means of S...S intermolecular interactions. The tiny difference of the above 2-D molecular sheets of the two title crystals has resulted in one order of magnitude difference of conductivities.
KeywordConductive Complex Crystal Structure Energy Band Conductivity
Indexed BySCI
WOS IDWOS:000175271500014
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Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorFang, Q
Affiliation1.Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China
2.Shandong Univ, Sch Informat Sci & Engn, Jinan 250100, Peoples R China
3.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
4.Southeast Univ, Dept Chem & Chem Engn, Nanjing 210096, Peoples R China
5.Chinese Univ Hong Kong, Dept Chem, Hong Kong, Hong Kong, Peoples R China
Recommended Citation
GB/T 7714
Fang, Q,Lei, H,Liu, Z,et al. Structures, energy bands and conductivities of (Me3NEt)[Pd(dmit)(2)](2) and (NEt4)[Pd(dmit)(2)](2)[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2002,45(1):97-105.
APA Fang, Q,Lei, H,Liu, Z,Zhang, B,Sun, YM,&Mak, TCW.(2002).Structures, energy bands and conductivities of (Me3NEt)[Pd(dmit)(2)](2) and (NEt4)[Pd(dmit)(2)](2).SCIENCE IN CHINA SERIES B-CHEMISTRY,45(1),97-105.
MLA Fang, Q,et al."Structures, energy bands and conductivities of (Me3NEt)[Pd(dmit)(2)](2) and (NEt4)[Pd(dmit)(2)](2)".SCIENCE IN CHINA SERIES B-CHEMISTRY 45.1(2002):97-105.
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