TY - JOUR
T1 - Salts of ammonium-crown ether supramolecular cation with bis(maleonitriledithiolato)copperate(II)
T2 - Crystal structures, magnetic susceptibilities, single crystal EPR spectra and DFT calculation
AU - Wen, Lili
AU - Sui, Yunxia
AU - Ren, Xiaoming
AU - Ni, Zhaoping
AU - Dang, Dongbin
AU - Li, Yizhi
AU - Meng, Qingjin
AU - Gao, Song
PY - 2005/9/1
Y1 - 2005/9/1
N2 - Two salts consisting of ammonium-crown ether supramolecular cation with bis(maleonitriledithiolato)copperate (II), (NH4)2(15- crown-5)3[Cu(mnt)2] (1) and (NH4) 2(benzo-15-crown-5)4[Cu(mnt)2] • 0.5H 2O (2), have been synthesized and structurally characterized. The distinct structures of supramolecular cation, an unusual triple-decker dication in 1 and a sandwich dimer in 2, were observed. X-band EPR studies on the single crystals of both 1 and 2 have been carried out at room temperature, which revealed that 1 possesses a single resonance line whereas 2 shows a perfect hyperfine structure. The spin-density distribution in the anionic moiety of 2 is calculated on DFT method and compared well with the experimental data.
AB - Two salts consisting of ammonium-crown ether supramolecular cation with bis(maleonitriledithiolato)copperate (II), (NH4)2(15- crown-5)3[Cu(mnt)2] (1) and (NH4) 2(benzo-15-crown-5)4[Cu(mnt)2] • 0.5H 2O (2), have been synthesized and structurally characterized. The distinct structures of supramolecular cation, an unusual triple-decker dication in 1 and a sandwich dimer in 2, were observed. X-band EPR studies on the single crystals of both 1 and 2 have been carried out at room temperature, which revealed that 1 possesses a single resonance line whereas 2 shows a perfect hyperfine structure. The spin-density distribution in the anionic moiety of 2 is calculated on DFT method and compared well with the experimental data.
KW - Bis(maleonitriledithiolato)copperate
KW - Crown ether
KW - DFT calculation
KW - H-bonding interaction
KW - Single crystal EPR
KW - Supramolecular cation
UR - http://www.scopus.com/inward/record.url?scp=24644456023&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2005.06.030
DO - 10.1016/j.ica.2005.06.030
M3 - 文章
AN - SCOPUS:24644456023
SN - 0020-1693
VL - 358
SP - 3841
EP - 3848
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
IS - 13
ER -