An unusual valence one-dimensional (1D) molecular charge transfer salt (TMTTF)(NbOF) [TMTTF = tetramethyltetrathiafulvalene] with infinite anion chains was prepared. To understand the crystal structure and electronic states of the (TMTTF)(NbOF) salt, we performed synchrotron X-ray diffraction, electron spin resonance, and static magnetization measurements. There is only one independent TMTTF molecule in the unit cell of (TMTTF)(NbOF). The TMTTF cation radicals stack to form 1D columns. The effective charge of the TMTTF molecule in the crystal was estimated to be +1. The electric charge of TMTTF donors is compensated by the infinite anion chains [(NbOF)]. The magnetic susceptibility of (TMTTF)(NbOF) is 4 × 10 emu/mol at room temperature and shows weak temperature dependence above 60 K. However, some deviation appears below 60 K. The temperature dependence of the spin susceptibility shows a noticeable enhancement below 60 K. Below 5 K, the magnetization curve as a function of the magnetic field deviates from the straight line and shows a saturation tendency. The experimental results can be reproduced well with the = 2 spin system at 2 K. The detailed analysis of the crystal structure and anomalous low-temperature magnetic state magnetic properties of (TMTTF)(NbOF) are discussed.
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http://dx.doi.org/10.1021/acs.inorgchem.1c00208 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
January 2025
Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, Ukraine.
The title compound, {(CHNO)[SnBr]} , is a layered hybrid perovskite crystallizing in the monoclinic space group 2/. The asymmetric unit consists of one HC-O-NH -CH cation (MeHA), one Sn atom located on a twofold rotation axis, and two Br atoms. The Sn atom has a distorted octa-hedral coordination environment formed by the bromido ligands.
View Article and Find Full Text PDFChemphyschem
December 2024
University of Ioannina, Chemistry, 45110, Ioannina, GREECE.
The solvation structure and dynamics of the thiocyanate anion at infinite dilution in mixed N, N-Dimethylformamide (DMF)-water liquid solvents was studied using classical molecular dynamics simulation techniques. The results obtained have indicated a preferential solvation of the thiocyanate anions by the water molecules, due to strong hydrogen bonding interactions between the anion and water molecules. A first hydration shell at short intermolecular distances is formed around the SCN- anion consisting mainly by water molecules, followed by a second shell consisting by both DMF and water molecules.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
School of Physical Sciences, University of Chinese Academy of Sciences (UCAS), Beijing 100049, China.
It is well established that the long-range van der Waals or thermal Casimir interaction between two semi-infinite dielectrics separated by a distance H is screened by an intervening electrolyte. Here we show how this interaction is modified when an electric field of strength E is applied parallel to the dielectric boundaries, leading to a nonequilibrium steady state with a current. The presence of the field induces a long-range thermal repulsive interaction, scaling just like the thermal Casimir interaction between dielectrics without the intervening electrolyte, i.
View Article and Find Full Text PDFIUCrdata
November 2024
Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.
The solvated title compound, (CHP)[CoCl(CHP)]·2CH, is the tri-phenyl-phospho-nium salt of an anionic Co chlorido coordination compound; the asymmetric unit features an ion-pair and two benzene solvent molecules. One of the solvent mol-ecules shows rotational disorder. C-H⋯Cl and P-H⋯Cl contacts connect the individual constituents into infinite chains extending parallel to [010].
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
December 2024
Laboratoire de Cristallographie-Themodynamique, Faculté de Chimie, USTHB, BP 32 El-Alia Bab Ezzouar, Algiers, 16111, Algeria.
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