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31.
Konarev DV Khasanov SS Otsuka A Yamochi H Saito G Lyubovskaya RN 《Inorganic chemistry》2012,51(6):3420-3426
The salt (DMI(+))(2)·(C(60)(?-))·{Cd(Et(2)NCS(2))(2)I(-)} (1) containing fullerene radical anions, the anions of cadmium diethyldithiocarbamate iodide, and N,N'-dimethylimidazolium cations was obtained. Fullerenes are monomeric in 1 at 250 K and form three-dimensional packing in which each fullerene has nearly tetrahedral surroundings from neighboring fullerenes. Fullerenes with a shorter interfullerene center-to-center distance of 10.031(2) ? form spiral chains arranged along the lattice c axis. The convolution consists of four fullerene molecules. Dimerization realized in 1 within the spiral chains below 135 K manifests a strong dependence on the cooling rate. The "frozen" monomeric phase was obtained upon instant quenching of 1. This phase is stable below 95 K for a long time but slowly converted to the dimeric phase at T > 95 K. It exhibits a weak antiferromagnetic interaction of spins below 95 K (the Weiss temperature is -4 K), which results in the splitting of the electron paramagnetic resonance (EPR) signal into two components below 10 K. A disordered phase containing both C(60)(?-) monomers and singly bonded (C(60)(-))(2) dimers with approximately 0.5/0.5 occupancies is formed at an intermediate cooling rate (for 20 min). The position of each fullerene in this phase is split into three positions slightly shifted relative to each other. The central position corresponds to nonbonded fullerenes with interfullerene center-to-center distances of 9.94-10.00 ?. Two other positions are coincided to dimeric fullerenes formed with the right and left fullerene neighbors within the spiral chain. This intermediate phase is paramagnetic with nearly zero Weiss temperature due to isolation of C(60)(?-) by diamagnetic species and exhibits a strongly asymmetric EPR signal below 20 K. A diamagnetic phase containing ordered singly bonded (C(60)(-))(2) dimers can be obtained only upon slow cooling of the crystal for 6 h. 相似文献
32.
P. P. Kushch S. V. Konovalikhin G. V. Shilov L. O. Atovmyan T. A. Khannanova R. N. Lyubovskaya 《Russian Chemical Bulletin》2000,49(2):372-374
The structure and conducting properties of a new radical cation salt of dibenzotetrathiafulvalene (DBTTF),viz., (DBTTF)11(TeCl6)4 (1), were studied. According to the X-ray diffraction data, the crystal of1 contains six crystallographically independent DBTTF radical cations alternating with stacks of the (TeCl6)2− anions. At room temperature, the conductivity of the crystals is 15 S cm−1 and it changes exponentially as the temperature decreases. It was found that an increase in the size of the anion in compounds
of type1 results in the appearance of interactions between the stacks and in an enhancement of the two-dimensional character of the
conductivity.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 370–372, February, 2000. 相似文献
33.
V. V. Gritsenko O. A. D'yachenko D. V. Konarev R. N. Lyubovskaya 《Russian Chemical Bulletin》2000,49(1):102-105
A new C70-based molecular complex 4BNDY·3C70·4C6H6 (1) (BNDY is binaphtho[1,8-d.e]-1,3-dithiin-2-ylidene) was prepared, and its full X-ray diffraction study at room temperature was performed. The C70 molecules in crystal 1 are ordered in different ways, and their ordering depends on van der Waals interactions between them
and nonplanar BNDY molecules in the boat conformation. The neighboring BNDY molecules in the structure are bound to each other
by π-π interactions.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 99–102, January, 2000. 相似文献
34.
Lyubovskii R. B. Pesotskii S. I. Zhilyaeva E. I. Flakina A. M. Lyubovskaya R. N. Torunova S. A. 《Journal of Experimental and Theoretical Physics》2019,128(3):450-454
Journal of Experimental and Theoretical Physics - Based on the analysis of the behavior of the magnetoresistance, the regime of interlayer charge transport in a bilayer quasi-two-dimensional... 相似文献
35.
R. M. Vlasova N. V. Drichko O. O. Drozdova R. N. Lyubovskaya 《Physics of the Solid State》1997,39(8):1165-1170
The reflection spectra and optical conductivity spectra of the new organic conductor ϰ-(ET)2[Hg(SCN)2Cl] with a metal-insulator transition in the spectral regions 700–5500 and 9000–40 000 cm−1 have been studied in polarized light at 300 K. A comparisonis made between the spectra obtained and the corresponding spectra
of related isostructural conductors based on the ET molecule, and also the properties of the crystal structure of the investigated
compounds. An electronic transition between the ET molecules of the dimer (ET)
2
+
in the spectral region 700–5500 cm−1 has been identified, as have the features of the electronic-vibrational structure arising as a consequence of the interaction
of this transition with the completely symmetric intramolecular vibrations of the ET molecule. It is found that the conductor
with the stronger dimer interaction between the ET molecules has the higher the transition temperature.
Fiz. Tverd. Tela (St. Petersburg) 39, 1313–1319 (August 1997) 相似文献
36.
Konarev DV Neretin IS Slovokhotov YL Yudanova EI Drichko NV Shul'ga YM Tarasov BP Gumanov LL Batsanov AS Howard JA Lyubovskaya RN 《Chemistry (Weinheim an der Bergstrasse, Germany)》2001,7(12):2605-2616
New molecular complexes of fullerenes C60 and C70 with tetraphenylporphyrins [M(tpp)] in which M-H2, MnII, CoII, CuII, ZnII and Fe(III)Cl, have been synthesised. Crystal structures of two C60 complexes with H2TPP, which differ only in the number of benzene solvated molecules, and C60 and C70 complexes with [Cu(tpp)] have been studied. The fullerene molecules form a honeycomb motif in H2TPP.2C60. 3C6H6, puckered graphite-like layers in H2TPP.2C60.4C6H6, zigzag chains in [Cu(tpp)].C70.1.5C7H8.0.5C2HCl3 and columns in [Cu(tpp)]2.C60. H2TPP has van der Waals contacts with C60 through nitrogen atoms and phenyl groups. Copper atoms of the [Cu(tpp)] molecules are weakly coordinated with C70, but form no shortened contacts with C60. The formation of molecular complexes with fullerenes affects the ESR spectra of [M(tpp)] (M = Mn, Co and Cu). [Mn(tpp)] in the complex with C70 lowers its spin state from S = 5/2 to S = 1/2, whereas [Co(tpp)] and [Cu(tpp)] change the constants of hyperfine interaction. ESR, IR, UV-visible and X-ray photoelectron spectroscopic data show no noticeable charge transfer from the porphyrinate to the fullerene molecules. 相似文献
37.
38.
Dr. Dmitri V. Konarev Dr. Salavat S. Khasanov Dr. Alexey V. Kuzmin Dr. Maxim V. Mikhailenko Dr. Akihiro Otsuka Prof. Hideki Yamochi Prof. Hiroshi Kitagawa Prof. Dr. Rimma N. Lyubovskaya 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(72):17470-17480
Crystalline {Cryptand[2.2.2](Na+)}{HAT(CN)6.−}⋅0.5C6H4Cl2 ( 1 ), {Cryptand[2.2.2](K+)}{HAT(CN)6.−} ( 2 ), (CV+){HAT(CN)6.−} ( 3 ), and (CV+){HAT(CN)6.−}⋅2C6H4Cl2 ( 4 ) salts (where CV+ is the crystal violet cation) containing hexaazatriphenylenehexacarbonitrile radical anions have been obtained. The solid-state molecular structure as well as the optical and magnetic properties of HAT(CN)6.− are studied. The formation of HAT(CN)6.− in 1 – 4 leads to the appearance of new bands in the visible range, at 694 and 740 nm. The HAT(CN)6.− radical anions have spin state S=1/2 and are packed in one-dimensional stacks containing the {HAT(CN)6.−}2 dimers alternated with weaker interacting pairs of HAT(CN)6.− in 1 and nearly isolated {HAT(CN)6.−}2 dimers in 2 . The {HAT(CN)6.−}2 dimers are diamagnetic in 1 but they effectively mediate one-dimensional antiferromagnetic coupling of spins within the stacks with moderate exchange interaction of J/kB = −80 K. The behaviour of salt 2 is described by a singlet–triplet model for the {HAT(CN)6.−}2 dimers with an energy gap of 434(±7) K. Magnetic behaviour of both salts agree well with the data of extended Hückel calculations. Salts 3 and 4 contain isolated stacks of alternated HAT(CN)6.− and CV+ ions, and in this case, nearly paramagnetic behaviour is observed with Weiss temperatures of −1 and −7 K, respectively. Narrow Lorentzian EPR signals with g = 2.0033–2.0039 were found for the HAT(CN)6.− radical anions in 1 and 4 but in solution g-factor shifts to 1.9964. The electronic structure of HAT(CN)6.− is analysed based on X-ray diffraction data for 2 , showing a Jahn–Teller distortion of the radical anion that reduces the symmetry from D3h to Cs and splits the initially degenerated LUMOs. 相似文献
39.
R. B. Lyubovskii S. I. Pesotskii G. V. Shilov E. I. Zhilyaeva A. M. Flakina R. N. Lyubovskaya 《Molecular Crystals and Liquid Crystals》2014,589(1):111-115
Intralayer and interlayer transports and Shubnikov – de Haas oscillations are investigated in the new dual-layered organic metal (BETS)4ZnBr4(C6H4Cl2). It is shown that: a) the interlayer resistance behavior corresponds to incoherent transport; b) the behavior of quantum oscillations is well described by the model of a coherent network of magnetic breakdown orbits. Both the interlayer transport and quantum oscillations are in a good agreement with the theoretical calculation of the zone structure. 相似文献
40.
Konarev DV Khasanov SS Otsuka A Saito G Lyubovskaya RN 《Journal of the American Chemical Society》2006,128(29):9292-9293
A negatively charged pi-(C60-)2 dimer bonded by two single bonds was found in the ionic multicomponent complex {(MDABCO+).CoIITMPP}2.(C60-)2.(C6H4Cl2)2.5.(C6H5CN)1.5 (1). In contrast to the previously described diamagnetic sigma-(C60-)2 dimer, the negatively charged pi-dimer has a biradical state at room temperature: (C60*-)2 (S = 1). The behavior of spins in this dimer can be described by a model with a singlet ground state (S = 0) and a close lying excited triplet (S = 1) state with the energy gap of 2|JAF| = 70 +/- 2 cm-1. On the whole, complex 1 shows a strong antiferromagnetic interaction of spins with a Weiss constant of -34 K. 相似文献