Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal–organic frameworks
Isostructural metal–organic frameworks (MOFs) M2 (TTFTB)(M= Mn, Co, Zn, and Cd;
H4TTFTB= tetrathiafulvalene tetrabenzoate) exhibit a striking correlation between their
single-crystal conductivities and the shortest S··· S interaction defined by neighboring TTF
cores, which inversely correlates with the ionic radius of the metal ions. The larger cations
cause a pinching of the S··· S contact, which is responsible for better orbital overlap between
pz orbitals on neighboring S and C atoms. Density functional theory calculations show that …
H4TTFTB= tetrathiafulvalene tetrabenzoate) exhibit a striking correlation between their
single-crystal conductivities and the shortest S··· S interaction defined by neighboring TTF
cores, which inversely correlates with the ionic radius of the metal ions. The larger cations
cause a pinching of the S··· S contact, which is responsible for better orbital overlap between
pz orbitals on neighboring S and C atoms. Density functional theory calculations show that …
[引用][C] Cation-Dependent Intrinsic Electrical Conductivity in Isostructural Tetrathiafulvalene-Based Microporous Metal–Organic Frameworks
S Lei, W Aron, D Mircea - 2015