Donor Slab Robustness and Band Filling Variations in BDT-TTP-based Molecular Conductors: β-(BDT-TTP)6[Re6S6Cl8]·(CH2Cl-CHCl2)2 and β-(BDT-TTP)6 [Mo6Cl14]·(CH2Cl-CHCl2)2

Abstract

should be a good model compound for nanoparticle studies in both photochemistry and photophysics, since it has strict core±cell molecular structure. ExperimentalPreparation of Zn 4 O(AID) 6 : A solution of 7-azaindole (1.5 mmol) in methanol (20 cm 3 ) was heated to boiling and mixed with a solution of zinc acetate dehydrate (1 mmol in 30 cm 3 methanol). Triethylamine (1 cm 3 ) was then added. The colorless complex Zn 4 O(AID) 6 was obtained after filtration. The crystallography data were collected on an Enraf-Nonius CAD4 four-circle diffractometer.Time-resolved luminescence spectroscopy was recorded by a laser system. The sample excitation was performed with a pulsed, frequency-tripled titanium±sapphire laser, yielding optical pulses with a pulse length of 2 ps and a repetition rate of about 82 MHz. The excitation wavelength can be tuned between 250±300 nm. The PL signal was dispersed with a 0.32 m JobinYvon monochromator and recorded using a Streak camera system with a S20 cathode and a subsequent charge coupled device (CCD) camera. The overall time resolution of the setup is about 5 ps.

An In-Depth Correlation of the Perturbation of the Organic–Inorganic Interface Topology, Electronic Structure, and Transport Properties within an Extended Series of 21 Metallic Pseudopolymorphs, ″-(BEDT-TTF)4⋅(guest)n⋅[Re6Q6Cl8], (Q=S, Se)

“…The data for 3 were processed with XCAD4, and for all other compounds the images were processed with the set of programs from STOE. [28a] For all compounds an absorption correction was applied by using either semiempirical procedures based on an azimuthal psi-scan technique (compound 3) or multiscan technique (compounds 2, 6,9,12,13,16,18,19) or numerical procedures based on face indexing (1,5,8,10,11,14,15,17,20,21). The structures were solved by direct methods and refined by full-matrix least-squares based on F 2 , by using the program SHELX-97.…”

“…[12] The ability of the neutral guest site surroundings to be molded by the cavity-forming process can be associated with the flexibility of the terminal ethylenedithio groups of the BEDT-TTF molecules [13] and the inherent, somewhat loose packing of the inorganic cluster anions within the slab; this has been exemplified recently for b-(BDT-TTP) 6 [Re 6 S 6 Cl 8 ] ¥ (CHCl 2 -CH 2 Cl) 2 . [14] Moreover, the significant dispersity of the distribution of the data points in Figure 4 and the indication that the unit-cell volumes increase only half as much as the estimated volumes of the guests suggest that each molecular guest is defined by its own particular set of intermolecular weak interactions, and that the later are mostly attractive in nature. Now, if one focuses in Figure 4 on the four compounds 10 ± 13, a consistent set of chemically similar guests, the four data points for CHCl 3 , CH 2 ClI, CH 2 ClBr, and CH 2 Cl 2 , are found neatly aligned on the 1 ³2 slope; this exemplifies the key influence of chemical nature of the guest.…”

Tetrathiapentalene-based organic conductors

“…and show metal-like conducting behavior down to low temperatures (0.6-4.2 K) regardless of the size and shape of the counter anions [11,12,[44][45][46][47][48][49][50][51]. Figure 2 shows the crystal structure of (BDT-TTP) 2 SbF 6 .…”

Orbital analysis of TTF molecules adsorbed on the Au surface

“…TTF molecules have been expected to be molecular nanowires [3,4] as well as conducting components for organic conductors [5,6]. TTF-CH 2 SH with 7,7,8,8-tetracyanoquinodimethane (TCNQ) self-assembled monolayer (SAM) on a gold substrate was reported [7].…”