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Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl. / Pushkarevsky, Nikolay A.; Semenov, Nikolay A.; Dmitriev, Alexey A. et al.

In: Inorganic Chemistry, Vol. 54, No. 14, 20.07.2015, p. 7007-7013.

Research output: Contribution to journal › Article › peer-review

Harvard

Pushkarevsky, NA, Semenov, NA, Dmitriev, AA, Kuratieva, NV, Bogomyakov, AS, Irtegova, IG, Vasilieva, NV, Bode, BE, Gritsan, NP, Konstantinova, LS, Woollins, JD, Rakitin, OA, Konchenko, SN, Ovcharenko, VI & Zibarev, AV 2015, 'Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl', Inorganic Chemistry, vol. 54, no. 14, pp. 7007-7013. https://doi.org/10.1021/acs.inorgchem.5b01033

APA

Pushkarevsky, N. A., Semenov, N. A., Dmitriev, A. A., Kuratieva, N. V., Bogomyakov, A. S., Irtegova, I. G., Vasilieva, N. V., Bode, B. E., Gritsan, N. P., Konstantinova, L. S., Woollins, J. D., Rakitin, O. A., Konchenko, S. N., Ovcharenko, V. I., & Zibarev, A. V. (2015). Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl. Inorganic Chemistry, 54(14), 7007-7013. https://doi.org/10.1021/acs.inorgchem.5b01033

Vancouver

Pushkarevsky NA, Semenov NA, Dmitriev AA, Kuratieva NV, Bogomyakov AS, Irtegova IG et al. Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl. Inorganic Chemistry. 2015 Jul 20;54(14):7007-7013. doi: 10.1021/acs.inorgchem.5b01033

Author

Pushkarevsky, Nikolay A. ; Semenov, Nikolay A. ; Dmitriev, Alexey A. et al. / Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl. In: Inorganic Chemistry. 2015 ; Vol. 54, No. 14. pp. 7007-7013.

BibTeX

@article{7f2fa720b300428c91d87442197ee70c,
title = "Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl",
abstract = "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. (Chemical Equation Presented).",
author = "Pushkarevsky, {Nikolay A.} and Semenov, {Nikolay A.} and Dmitriev, {Alexey A.} and Kuratieva, {Natalia V.} and Bogomyakov, {Artem S.} and Irtegova, {Irina G.} and Vasilieva, {Nadezhda V.} and Bode, {Bela E.} and Gritsan, {Nina P.} and Konstantinova, {Lidia S.} and Woollins, {J. Derek} and Rakitin, {Oleg A.} and Konchenko, {Sergey N.} and Ovcharenko, {Victor I.} and Zibarev, {Andrey V.}",
year = "2015",
month = jul,
day = "20",
doi = "10.1021/acs.inorgchem.5b01033",
language = "English",
volume = "54",
pages = "7007--7013",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "14",

}

RIS

TY - JOUR

T1 - Synthesis and Properties of the Heterospin (S1 = S2 = 1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4- c ][1,2,5]thiadiazolidyl

AU - Pushkarevsky, Nikolay A.

AU - Semenov, Nikolay A.

AU - Dmitriev, Alexey A.

AU - Kuratieva, Natalia V.

AU - Bogomyakov, Artem S.

AU - Irtegova, Irina G.

AU - Vasilieva, Nadezhda V.

AU - Bode, Bela E.

AU - Gritsan, Nina P.

AU - Konstantinova, Lidia S.

AU - Woollins, J. Derek

AU - Rakitin, Oleg A.

AU - Konchenko, Sergey N.

AU - Ovcharenko, Victor I.

AU - Zibarev, Andrey V.

PY - 2015/7/20

Y1 - 2015/7/20

N2 - 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. (Chemical Equation Presented).

AB - 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. (Chemical Equation Presented).

UR - http://www.scopus.com/inward/record.url?scp=84937689839&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.5b01033

DO - 10.1021/acs.inorgchem.5b01033

M3 - Article

AN - SCOPUS:84937689839

VL - 54

SP - 7007

EP - 7013

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 14

ER -

ID: 25415629