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Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)(5)[Fe(C2O4)(3)]center dot(H2O)(2)center dot CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)
Zhang, Bin1,2; Zhang, Yan3; Liu, Fen2,4; Guo, Yanjun5
2009
Source PublicationCRYSTENGCOMM
ISSN1466-8033
Volume11Issue:11Pages:2523-2528
AbstractThe synthesis, crystal structure, Raman spectra, XP spectra, conductivity and magnetism of a charge-transfer salt of BEDT-TTF and oxalato-metalate: (BEDT-TTF)(5)Fe(C2O4)(3)(H2O)(2)CH2Cl2 (1) are described and interpreted. Electrochemical oxidation of neutral BEDT-TTF in the presence of (Et4N)(3)Fe(C2O4)(3) in CH2Cl2 solution yields crystals of 1. 1 crystallizes in triclinic form with cell parameters: a = 11.0197(1)angstrom, b = 11.5010(2) angstrom, c = 35.2773(5) angstrom, alpha = 89.1256(4)degrees, beta = 85.2348(5)degrees, gamma = 70.0039(4)degrees, V = 4186.5(1) angstrom(3), Z = 2, P (1) over bar in 180 K. 1 is different from the well known charge-transfer salt (BEDT-TTF)(4)AM(C2O4)(3)S (A = K+, NH4+ and H3O+, S solvent) in composition and crystal structure. Two donor layers and anion layers stack alternately along the c axis in 1. There is one enantiomer in an anion layer and the crystal remains racemized. The solvent molecule H2O bonds to two anions through hydrogen bonds and CH2Cl2 exists in the cavity of the parallelogram formed by anions but not a pocket of honeycomb of [AM(C2O4)(3)](2-) as in (BEDT-TTF)(4)AM(C2O4)(3)S. The formal charge of donor molecules was assigned to +0.5 and +1.0 from bond lengths in TTF core and corresponded to Raman and XP spectra. 1 is a paramagnetic semiconductor with sigma(rt) = 4 S cm(-1).
DOI10.1039/b910483f
Indexed BySCI
Language英语
WOS IDWOS:000270942000057
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/68342
Collection中国科学院化学研究所
Corresponding AuthorZhang, Bin
Affiliation1.Chinese Acad Sci, CMS, Organ Solid Lab, BNLMS, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
3.Peking Univ, Dept Phys, Beijing 100871, Peoples R China
4.Chinese Acad Sci, CMS, Ctr Physiochem Anal & Measurement, Beijing 100190, Peoples R China
5.Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Bin,Zhang, Yan,Liu, Fen,et al. Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)(5)[Fe(C2O4)(3)]center dot(H2O)(2)center dot CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)[J]. CRYSTENGCOMM,2009,11(11):2523-2528.
APA Zhang, Bin,Zhang, Yan,Liu, Fen,&Guo, Yanjun.(2009).Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)(5)[Fe(C2O4)(3)]center dot(H2O)(2)center dot CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene).CRYSTENGCOMM,11(11),2523-2528.
MLA Zhang, Bin,et al."Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)(5)[Fe(C2O4)(3)]center dot(H2O)(2)center dot CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)".CRYSTENGCOMM 11.11(2009):2523-2528.
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