Formation of an integrated system for monitoring the food security of the region

The agro-industrial complex at the current stage of operation requires a comprehensive analysis of the main directions of agricultural development and its development prospects, assessment of indicators determining the level of accessibility of food products - according to the global food security index, which allowed us to identify the main problems in ensuring the availability of food products. The subject of the study is the formation of an integrated system for monitoring food security in the agro-industrial complex of the region. The paper presents a comparative description of the methodological approaches to assessing the food security of the region. Indicators of the Russian Federation that are not fully synchronized with the main indicators of FAO food security have been identified. The aim and objective of the study is the introduction of progressive methodological approaches to assessing the physical accessibility of food products, which involves assessing the level of development of the distribution infrastructure taking into account the FAO system of food safety indicators, which allows an objective assessment of the volume of domestic production, determine the country's comparative advantages in the production of basic food products, and also evaluate the effectiveness of this production. The identified systemic threats to the food security of the region make it possible to justify the reserves for improving the functioning of the regional agri-food market. The necessity of applying a systematic approach to assessing the level of regional food security, which consists in consolidating the organizational, managerial, financial, economic and regulatory mechanisms for regulating the food security of the region, is substantiated. This will provide an information basis for determining development priorities and guidelines, identifying problems and threats in the food sector, taking into account regional characteristics, increasing the efficiency of forms and methods of food flow movement based on the use of effective management methods, the capabilities of modern information technologies and logistic ties

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

The authors are grateful to the Presidium of the Russian Academy of Sciences (Project 8.14), the Royal Society (RS International Joint Project 2010/R3), the Leverhulme Trust (Project IN-2012-094), the Siberian Branch of the Russian Academy of Sciences (Project 13), the Ministry of Education and Science of the Russian Federation (Project of Joint Laboratories of Siberian Branch of the Russian Academy of Sciences and National Research Universities), and the Russian Foundation for Basic Research (Projects 13-03-00072 and 15-03-03242) for financial support of various parts of this work. N.A.S. thanks the Council for Grants of the President of Russian Federation for postdoctoral scholarship (grant MK-4411.2015.3). B.E.B. is grateful for an EaStCHEM Hirst Academic Fellowship. A.V.Z. thanks the Foundation named after D. I. Mendeleev, Tomsk State University, for support of his work.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.PostprintPostprintPeer reviewe

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 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

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 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

Bis(toluene)chromium(I) [1,2,5]Thiadiazolo[3,4‑<i>c</i>][1,2,5]thiadiazolidyl and [1,2,5]Thiadiazolo[3,4‑<i>b</i>]pyrazinidyl: New Heterospin (<i>S</i>₁ = <i>S</i>₂ = ¹/₂) Radical-Ion Salts

Bis­(toluene)­chromium­(0), Cr⁰(η⁶-C₇H₈)₂ (<b>3</b>), readily reduced [1,2,5]­thiadiazolo­[3,4-<i>c</i>]­[1,2,5]­thiadiazole (<b>1</b>) and [1,2,5]­thiadiazolo­[3,4-<i>b</i>]­pyrazine (<b>2</b>) in a tetrahydrofuran solvent with the formation of heterospin, <i>S</i>₁ = <i>S</i>₂ = ¹/₂, radical-ion salts [<b>3</b>]⁺[<b>1</b>]⁻ (<b>4</b>) and [<b>3</b>]⁺[<b>2</b>]⁻ (<b>5</b>) isolated in high yields. The salts <b>4</b> and <b>5</b> were characterized by single-crystal X-ray diffraction (XRD), solution and solid-state electron paramagnetic resonance, and magnetic susceptibility measurements in the temperature range 2–300 K. Despite the formal similarity of the salts, their crystal structures were very different and, in contrast to <b>4</b>, in <b>5</b> anions were disordered. For the XRD structures of the salts, parameters of the Heisenberg spin Hamiltonian were calculated using the CASSCF/NEVPT2 and broken-symmetry density functional theory approaches, and the complex magnetic motifs featuring the dominance of antiferromagnetic (AF) interactions were revealed. The experimental χ<i>T</i> temperature dependences of the salts were simulated using the Van Vleck formula and a diagonalization of the matrix of the Heisenberg spin Hamiltonian for the clusters of 12 paramagnetic species with periodic boundary conditions. According to the calculations and χ<i>T</i> temperature dependence simulation, a simplified magnetic model can be suggested for the salt <b>4</b> with AF interactions between the anions ([<b>1</b>]⁻···[<b>1</b>]⁻, <i>J</i>₁ = −5.77 cm^–1) and anions and cations ([<b>1</b>]⁻···[<b>3</b>]⁺, <i>J</i>₂ = −0.84 cm^–1). The magnetic structure of the salt <b>5</b> is much more complex and can be characterized by AF interactions between the anions, [<b>2</b>]⁻···[<b>2</b>]⁻, and by both AF and ferromagnetic (FM) interactions between the anions and cations, [<b>2</b>]⁻···[<b>3</b>]⁺. The contribution from FM interactions to the magnetic properties of the salt <b>5</b> is in qualitative agreement with the positive value of the Weiss constant Θ (0.4 K), whereas for salt <b>4</b>, the constant is negative (−7.1 K)

Synthesis and Properties of the Heterospin (<i>S</i>₁ = <i>S</i>₂ = ¹/₂) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4‑<i>c</i>][1,2,5]thiadiazolidyl

Low-temperature interaction of [1,2,5]­thiadiazolo­[3,4-<i>c</i>]­[1,2,5]­thiadiazole (<b>1</b>) with MoMes₂ (Mes = mesitylene/1,3,5-trimethylbenzene) in tetrahydrofuran gave the heterospin (<i>S</i>₁ = <i>S</i>₂ = ¹/₂) radical-ion salt [MoMes₂]⁺[<b>1</b>]⁻ (<b>2</b>) 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 <b>2</b> is equal to 2.40 μ_B (theoretically expected 2.45 μ_B) and monotonically decreases with lowering of the temperature. In the temperature range 2–300 K, the molar magnetic susceptibility of <b>2</b> is well-described by the Curie–Weiss law with parameters <i>C</i> and θ equal to 0.78 cm³ K mol^–1 and −31.2 K, respectively. Overall, the magnetic behavior of <b>2</b> is similar to that of [CrTol₂]⁺[<b>1</b>]⁻ and [CrCp*₂]⁺[<b>1</b>]⁻, i.e., changing the cation [MAr₂]⁺ 3d atom M = Cr (<i>Z</i> = 24) with weak spin–orbit coupling (SOC) to a 4d atom M = Mo (<i>Z</i> = 42) with stronger SOC does not affect macroscopic magnetic properties of the salts. For the XRD structure of salt <b>2</b>, 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 <b>2</b> is thermally unstable and slowly loses the Mes ligands upon storage at ambient temperature. Under the same reaction conditions, interaction of <b>1</b> with MoTol₂ (Tol = toluene) proceeded with partial loss of the Tol ligands to afford diamagnetic product