Bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster

Standard

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 et al.

In: Journal of Molecular Structure, Vol. 1160, 15.05.2018, p. 208-214.

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

Author

Artem'ev, Alexander V. ; Doronina, Evgeniya P. ; Bagryanskaya, Irina Yu et al. / Bis(dicyclohexylselenophosphinyl)selenide, [Cy₂P(Se)]₂Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster. In: Journal of Molecular Structure. 2018 ; Vol. 1160. pp. 208-214.

BibTeX

@article{3c13a3df0f76498b8ca87d4e973a4f26,

title = "Bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster",

abstract = "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.",

keywords = "Copper clusters, DFT calculations, Diselenophosphinates, Molecular spectroscopy, Selenides, Selenium, SOLID-STATE NMR, COMPLEXES, X-RAY-DIFFRACTION, CRYSTAL, DICHALCOGENIDES, (R2PSE)(2)SE, HETEROCYCLES, SECONDARY PHOSPHINES, PR-I, ELEMENTAL SELENIUM",

author = "Artem'ev, {Alexander V.} and Doronina, {Evgeniya P.} and Bagryanskaya, {Irina Yu} and Klyba, {Lyudmila V.}",

year = "2018",

month = may,

day = "15",

doi = "10.1016/j.molstruc.2018.02.007",

language = "English",

volume = "1160",

pages = "208--214",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

}

RIS

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