TY - JOUR
T1 - An ion-pair complex [TTF][Pd(mnt) 2]
T2 - Synthesis, crystal structure, magnetic property, and electrical conductivity
AU - Wang, Can
AU - Yuan, Guo Jun
AU - Ning, Wei Hua
AU - Liu, Jian Lan
AU - Ren, Xiao Ming
PY - 2013/7/1
Y1 - 2013/7/1
N2 - A new ion-pair complex, [TTF][Pd(mnt)2] (1), where TTF + = tetrathiafulvalene and mnt2- = maleonitriledithiolate, was synthesized and characterized structurally. Compound 1 crystallizes in triclinic space group P-1, with a = 8.008(5) Å, b = 11.333(8) Å, c = 11.373(6) Å, α = 108.112(7)°, β = 91.550(5)°, γ = 95.232(5)°, and V = 975.2(11) Å3. The [TTF]+ cations (C) and [Pd(mnt)2]- anions (A) form mixed stacks in.AACCAACC. fashion, and the neighboring mixed stacks are held together via van der Waals forces in the crystal. Compound 1 shows weak Curie/Weiss-type magnetic behavior from 2 to 370 K; theoretical investigation disclosed the existence of strongly antiferromagnetic coupling in both [Pd(mnt) 2]2 2- and [TTF]2 2+ dimer pairs via frontier orbitals overlap mechanism and weakly ferromagnetic coupling between the face-to-face overlapped [TTF]+ and [Pd(mnt) 2]- via spin polarization mechanism within a mixed stack. The powdered pellet electrical conductivity measurement indicated that 1 shows semiconductor character with activation energy of 1.1(3) eV.
AB - A new ion-pair complex, [TTF][Pd(mnt)2] (1), where TTF + = tetrathiafulvalene and mnt2- = maleonitriledithiolate, was synthesized and characterized structurally. Compound 1 crystallizes in triclinic space group P-1, with a = 8.008(5) Å, b = 11.333(8) Å, c = 11.373(6) Å, α = 108.112(7)°, β = 91.550(5)°, γ = 95.232(5)°, and V = 975.2(11) Å3. The [TTF]+ cations (C) and [Pd(mnt)2]- anions (A) form mixed stacks in.AACCAACC. fashion, and the neighboring mixed stacks are held together via van der Waals forces in the crystal. Compound 1 shows weak Curie/Weiss-type magnetic behavior from 2 to 370 K; theoretical investigation disclosed the existence of strongly antiferromagnetic coupling in both [Pd(mnt) 2]2 2- and [TTF]2 2+ dimer pairs via frontier orbitals overlap mechanism and weakly ferromagnetic coupling between the face-to-face overlapped [TTF]+ and [Pd(mnt) 2]- via spin polarization mechanism within a mixed stack. The powdered pellet electrical conductivity measurement indicated that 1 shows semiconductor character with activation energy of 1.1(3) eV.
KW - Crystal structure
KW - Electrical conductivity
KW - Magnetic property
KW - Palladium-bis-maleonitriledithiolene
KW - Tetrathiafulvalene
UR - http://www.scopus.com/inward/record.url?scp=84880258753&partnerID=8YFLogxK
U2 - 10.1080/00958972.2013.808337
DO - 10.1080/00958972.2013.808337
M3 - 文章
AN - SCOPUS:84880258753
SN - 0095-8972
VL - 66
SP - 2529
EP - 2540
JO - Journal of Coordination Chemistry
JF - Journal of Coordination Chemistry
IS - 14
ER -