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Bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster. / Artem'ev, Alexander V.; Doronina, Evgeniya P.; Bagryanskaya, Irina Yu и др.
в: Journal of Molecular Structure, Том 1160, 15.05.2018, стр. 208-214.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster
AU - Artem'ev, Alexander V.
AU - Doronina, Evgeniya P.
AU - Bagryanskaya, Irina Yu
AU - Klyba, Lyudmila V.
PY - 2018/5/15
Y1 - 2018/5/15
N2 - The molecular structure of the selenides of [R2P(Se)]2Se type has been systematically studied on example of bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se. This selenide has been synthesized in 65% yield by oxidation of Cy2PH with elemental selenium in 1:2 M ratio. Its structure has been investigated by X-ray diffractometry (XRD), NMR, FT-IR and MALDI-TOF/MS techniques. In the solid, the Se1–P–Se2–P–Se3 chain of (Cy2P = Se)2Se molecule adopts a syn-anti conformation with the Se1–P–Se2–P and P–Se2–P–Se3 torsion angles of −179.64 (3)° and 4.69 (4)°. The vibrational band assignments, performing at B3LYP/6-311++G (d,p) theory level, are in a good agreement with the experimental FT-IR frequencies. The synthetic utility of the prepared selenide has been exemplified by its reaction with CuCl2 resulted in the formation of [Cu4(Se2PCy2)4] cluster in 53% yield. The structure of latter is formed by a Cu4 tetrahedron, wherein each triangular face is bridged by a [Se2PCy2] ligand in a trimetallic triconnective (μ2, μ1) pattern.
AB - The molecular structure of the selenides of [R2P(Se)]2Se type has been systematically studied on example of bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se. This selenide has been synthesized in 65% yield by oxidation of Cy2PH with elemental selenium in 1:2 M ratio. Its structure has been investigated by X-ray diffractometry (XRD), NMR, FT-IR and MALDI-TOF/MS techniques. In the solid, the Se1–P–Se2–P–Se3 chain of (Cy2P = Se)2Se molecule adopts a syn-anti conformation with the Se1–P–Se2–P and P–Se2–P–Se3 torsion angles of −179.64 (3)° and 4.69 (4)°. The vibrational band assignments, performing at B3LYP/6-311++G (d,p) theory level, are in a good agreement with the experimental FT-IR frequencies. The synthetic utility of the prepared selenide has been exemplified by its reaction with CuCl2 resulted in the formation of [Cu4(Se2PCy2)4] cluster in 53% yield. The structure of latter is formed by a Cu4 tetrahedron, wherein each triangular face is bridged by a [Se2PCy2] ligand in a trimetallic triconnective (μ2, μ1) pattern.
KW - Copper clusters
KW - DFT calculations
KW - Diselenophosphinates
KW - Molecular spectroscopy
KW - Selenides
KW - Selenium
KW - SOLID-STATE NMR
KW - COMPLEXES
KW - X-RAY-DIFFRACTION
KW - CRYSTAL
KW - DICHALCOGENIDES
KW - (R2PSE)(2)SE
KW - HETEROCYCLES
KW - SECONDARY PHOSPHINES
KW - PR-I
KW - ELEMENTAL SELENIUM
UR - http://www.scopus.com/inward/record.url?scp=85041533404&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2018.02.007
DO - 10.1016/j.molstruc.2018.02.007
M3 - Article
AN - SCOPUS:85041533404
VL - 1160
SP - 208
EP - 214
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -
ID: 10428398