Synthesis and properties of the heterospin (S1=S2=1/2) radical-ion salt bis(mesitylene)molybdenum(I)[1,2,5]thiadiazolo[3,4c][1,2,5]thiadiazolidyl
Low-temperature interaction of [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (1) with MoMes2 (Mes = mesitylene/1,3,5-trimethylbenzene) in tetrahydrofuran gave the heterospin (S1 = S2 = 1/2) radical-ion salt [MoMes2]+[1]− (2) whose structure was confirmed by single-crystal X-ray diffraction (XRD). The...
| Published in: | Inorganic chemistry Vol. 54, № 14. P. 7007-7013 |
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| Corporate Author: | |
| Other Authors: | , , , , , , , , , , , , , , |
| Format: | Article |
| Language: | English |
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| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000525285 Перейти в каталог НБ ТГУ |
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| 008 | 181202|2015 xxu s a eng d | ||
| 024 | 7 | |a 10.1021/acs.inorgchem.5b01033 | |
| 035 | |a to000525285 | ||
| 039 | 9 | |a 201812021549 |c 201610131038 |d cat202 |c 201607251301 |d cat202 |c 201607221053 |d cat202 |y 201602261027 |z Александр Эльверович Гилязов | |
| 040 | |a RU-ToGU |b rus |c RU-ToGU | ||
| 245 | 1 | 0 | |a Synthesis and properties of the heterospin (S1=S2=1/2) radical-ion salt bis(mesitylene)molybdenum(I)[1,2,5]thiadiazolo[3,4c][1,2,5]thiadiazolidyl |c N. A. Pushkarevsky, N. A. Semenov, A. A. Dmitriev [et.al.] |
| 520 | 3 | |a Low-temperature interaction of [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (1) with MoMes2 (Mes = mesitylene/1,3,5-trimethylbenzene) in tetrahydrofuran gave the heterospin (S1 = S2 = 1/2) radical-ion salt [MoMes2]+[1]− (2) whose structure was confirmed by single-crystal X-ray diffraction (XRD). The structure revealed alternating layers of the cations and anions with the Mes ligands perpendicular, and the anions tilted by 45°, to the layer plane. At 300 K the effective magnetic moment of 2 is equal to 2.40 μB (theoretically expected 2.45 μB) and monotonically decreases with lowering of the temperature. In the temperature range 2-300 K, the molar magnetic susceptibility of 2 is well-described by the Curie-Weiss law with parameters C and θ equal to 0.78 cm3 K mol-1 and −31.2 K, respectively. Overall, the magnetic behavior of 2 is similar to that of [CrTol2]+[1]− and [CrCp*2]+[1]−, i.e., changing the cation [MAr2]+ 3d atom M = Cr (Z = 24) with weak spin-orbit coupling (SOC) to a 4d atom M = Mo (Z = 42) with stronger SOC does not affect macroscopic magnetic properties of the salts. For the XRD structure of salt 2, parameters of the Heisenberg spin-Hamiltonian were calculated using the broken-symmetry DFT and CASSCF approaches, and the complex 3D magnetic structure with both the ferromagnetic (FM) and antiferromagnetic (AF) exchange interactions was revealed with the latter as dominating. Salt 2 is thermally unstable and slowly loses the Mes ligands upon storage at ambient temperature. Under the same reaction conditions, interaction of 1 with MoTol2 (Tol = toluene) proceeded with partial loss of the Tol ligands to afford diamagnetic product. | |
| 653 | |a синтез | ||
| 653 | |a молибден | ||
| 653 | |a соли | ||
| 655 | 4 | |a статьи в журналах |9 879358 | |
| 700 | 1 | |a Pushkarevsky, Nikolay A. |9 436411 | |
| 700 | 1 | |a Semenov, Nikolay A. |9 430485 | |
| 700 | 1 | |a Dmitriev, Alexey A. |9 436412 | |
| 700 | 1 | |a Kuratieva, Natalia V. |9 135592 | |
| 700 | 1 | |a Bogomyakov, Artem S. |9 135594 | |
| 700 | 1 | |a Irtegova, Irina G. |9 354810 | |
| 700 | 1 | |a Vasilieva, Nadezhda V. |9 412358 | |
| 700 | 1 | |a Bode, Bela E. |9 436413 | |
| 700 | 1 | |a Gritsan, Nina P. |9 422900 | |
| 700 | 1 | |a Konstantinova, Lidia S. |9 412363 | |
| 700 | 1 | |a Woollins, J. Derek |9 436414 | |
| 700 | 1 | |a Rakitin, Oleg A. |9 412362 | |
| 700 | 1 | |a Konchenko, Sergey N. |9 135597 | |
| 700 | 1 | |a Ovcharenko, Victor I. |9 436415 | |
| 700 | 1 | |a Zibarev, Andrey V. |9 96514 | |
| 710 | 2 | |a Томский государственный университет |b Химический факультет |b Кафедра органической химии |9 78711 | |
| 773 | 0 | |t Inorganic chemistry |d 2015 |g Vol. 54, № 14. P. 7007-7013 |x 0020-1669 | |
| 852 | 4 | |a RU-ToGU | |
| 856 | 7 | |u http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000525285 | |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=385298 | ||
| 908 | |a статья | ||
| 999 | |c 385298 |d 385298 | ||