A combined spectroelectrochemical and computational study of the chemically reversible 2-electron reduction of [Ru4(μ-RC2R) 2(CO)11] clusters

Olivia F. Koentjoro; Paul J. Low; Roger Rousseau; Carlo Nervi; Dmitry S. Yufit; Judith A.K. Howard; Konstantin A. Udachin

doi:10.1021/om049457y

A combined spectroelectrochemical and computational study of the chemically reversible 2-electron reduction of [Ru₄(μ-RC₂R) ₂(CO)₁₁] clusters

Olivia F. Koentjoro, Paul J. Low, Roger Rousseau, Carlo Nervi, Dmitry S. Yufit, Judith A.K. Howard, Konstantin A. Udachin

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

13 Scopus citations

Abstract

The 62-CVE clusters Ru₄(μ-RC₂R) ₂(CO)₁₁, which feature a dodecahedral cluster core, are readily reduced to a 64-CVE dianion in a process that is essentially chemically reversible. A combination of electrochemical, spectroelectrochemical, and computational analyses of the system indicates that the first formed dianion, which features a square planar arrangement of the metal centers with the alkyne ligands located on opposite faces of the M₄ square and oriented in a manner such that the C-C bonds are perpendicular to each other, undergoes a thermal rearrangement giving a product in which the alkyne vectors lie parallel to each other across the metal framework.

Original language	English
Pages (from-to)	1284-1292
Number of pages	9
Journal	Organometallics
Volume	24
Issue number	6
DOIs	https://doi.org/10.1021/om049457y
State	Published - Mar 14 2005
Externally published	Yes

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title = "A combined spectroelectrochemical and computational study of the chemically reversible 2-electron reduction of [Ru4(μ-RC2R) 2(CO)11] clusters",

abstract = "The 62-CVE clusters Ru4(μ-RC2R) 2(CO)11, which feature a dodecahedral cluster core, are readily reduced to a 64-CVE dianion in a process that is essentially chemically reversible. A combination of electrochemical, spectroelectrochemical, and computational analyses of the system indicates that the first formed dianion, which features a square planar arrangement of the metal centers with the alkyne ligands located on opposite faces of the M4 square and oriented in a manner such that the C-C bonds are perpendicular to each other, undergoes a thermal rearrangement giving a product in which the alkyne vectors lie parallel to each other across the metal framework.",

author = "Koentjoro, \{Olivia F.\} and Low, \{Paul J.\} and Roger Rousseau and Carlo Nervi and Yufit, \{Dmitry S.\} and Howard, \{Judith A.K.\} and Udachin, \{Konstantin A.\}",

year = "2005",

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doi = "10.1021/om049457y",

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T1 - A combined spectroelectrochemical and computational study of the chemically reversible 2-electron reduction of [Ru4(μ-RC2R) 2(CO)11] clusters

AU - Koentjoro, Olivia F.

AU - Low, Paul J.

AU - Rousseau, Roger

AU - Nervi, Carlo

AU - Yufit, Dmitry S.

AU - Howard, Judith A.K.

AU - Udachin, Konstantin A.

PY - 2005/3/14

Y1 - 2005/3/14

N2 - The 62-CVE clusters Ru4(μ-RC2R) 2(CO)11, which feature a dodecahedral cluster core, are readily reduced to a 64-CVE dianion in a process that is essentially chemically reversible. A combination of electrochemical, spectroelectrochemical, and computational analyses of the system indicates that the first formed dianion, which features a square planar arrangement of the metal centers with the alkyne ligands located on opposite faces of the M4 square and oriented in a manner such that the C-C bonds are perpendicular to each other, undergoes a thermal rearrangement giving a product in which the alkyne vectors lie parallel to each other across the metal framework.

AB - The 62-CVE clusters Ru4(μ-RC2R) 2(CO)11, which feature a dodecahedral cluster core, are readily reduced to a 64-CVE dianion in a process that is essentially chemically reversible. A combination of electrochemical, spectroelectrochemical, and computational analyses of the system indicates that the first formed dianion, which features a square planar arrangement of the metal centers with the alkyne ligands located on opposite faces of the M4 square and oriented in a manner such that the C-C bonds are perpendicular to each other, undergoes a thermal rearrangement giving a product in which the alkyne vectors lie parallel to each other across the metal framework.

UR - https://www.scopus.com/pages/publications/15944399789

U2 - 10.1021/om049457y

DO - 10.1021/om049457y

M3 - Article

AN - SCOPUS:15944399789

SN - 0276-7333

VL - 24

SP - 1284

EP - 1292

JO - Organometallics

JF - Organometallics

IS - 6

ER -

A combined spectroelectrochemical and computational study of the chemically reversible 2-electron reduction of [Ru₄(μ-RC₂R) ₂(CO)₁₁] clusters

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