Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
First example of crystal structure of the nitrosoruthenium(II) trinitrato complex. / Vorobyev, V. A.; Emelyanov, V. A.; Baidina, I. A. и др.
в: Journal of Structural Chemistry, Том 58, № 5, 01.09.2017, стр. 975-982.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - First example of crystal structure of the nitrosoruthenium(II) trinitrato complex
AU - Vorobyev, V. A.
AU - Emelyanov, V. A.
AU - Baidina, I. A.
AU - Piryazev, D. A.
PY - 2017/9/1
Y1 - 2017/9/1
N2 - Single crystal X-ray diffraction is used to study the nitrosoruthenium mer-trinitrato complex [RuNO(NH3)2(NO3)3]. The crystallographic data for H6N6O10Ru are as follows: a = 7.6477(1) Å, b = 10.8404(2) Å, c = 24.0168(6) Å, α = β = γ = 90°, V = 1991.09(7) Å3, Z = 8, dcalc = 2/338 g/cm3, space group P212121. The structure is formed of two structurally non-equivalent uncharged mer-[RuNO(NH3)2(NO3)3] complexes. The complex crystallizes as yellow needles or orange powder belonging to the orthorhombic system. The substance is poorly soluble in water, ethanol, and acetone, stable in dark storage. The comparisons with the EXAFS data for this complex and the theoretical DFT calculations with different functionals are performed.
AB - Single crystal X-ray diffraction is used to study the nitrosoruthenium mer-trinitrato complex [RuNO(NH3)2(NO3)3]. The crystallographic data for H6N6O10Ru are as follows: a = 7.6477(1) Å, b = 10.8404(2) Å, c = 24.0168(6) Å, α = β = γ = 90°, V = 1991.09(7) Å3, Z = 8, dcalc = 2/338 g/cm3, space group P212121. The structure is formed of two structurally non-equivalent uncharged mer-[RuNO(NH3)2(NO3)3] complexes. The complex crystallizes as yellow needles or orange powder belonging to the orthorhombic system. The substance is poorly soluble in water, ethanol, and acetone, stable in dark storage. The comparisons with the EXAFS data for this complex and the theoretical DFT calculations with different functionals are performed.
KW - ammine complexes
KW - DFT calculations
KW - nitrato complexes
KW - nitrosyl complexes
KW - ruthenium
KW - single crystal X-ray diffraction analysis
KW - spent nuclear fuel
KW - NITRIC-ACID SOLUTIONS
KW - BEHAVIOR
KW - CORRELATION-ENERGY
KW - RUTHENIUM
KW - GENERALIZED GRADIENT APPROXIMATION
KW - DENSITY
KW - NITROSYLRUTHENIUM
KW - EXTRACTION
KW - METALS
KW - CHEMISTRY
UR - http://www.scopus.com/inward/record.url?scp=85032269728&partnerID=8YFLogxK
U2 - 10.1134/S0022476617050171
DO - 10.1134/S0022476617050171
M3 - Article
AN - SCOPUS:85032269728
VL - 58
SP - 975
EP - 982
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
SN - 0022-4766
IS - 5
ER -
ID: 9873607