The alkyne-cluster interaction in a ruthenium "butterfly" acetylenic carbonyl complex. An UV-PES and theoretical study

Gaetano Granozzi; Renzo Bertoncello; Mario Acampora; David Ajò; Domenico Osella; Silvio Aime

doi:10.1016/0022-328X(83)80047-3

The alkyne-cluster interaction in a ruthenium "butterfly" acetylenic carbonyl complex. An UV-PES and theoretical study

Gaetano Granozzi
, Renzo Bertoncello
, Mario Acampora
, David Ajò
, Domenico Osella
, Silvio Aime

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

Abstract

The electronic structure of "butterfly" Ru₄(CO)₁₂(RC₂R) cluster complexes is discussed on the basis of He(I) PE spectroscopy and CNDO quantum mechanical calculations. The theoretical results contribute to the discussion of the PE data and provide novel insights into the alkyne-cluster bonding scheme. The most interesting feature emerging from this study is the different roles of the "hinge" and "wing" ruthenium atoms: the former are involved in both donation and back-donation with the alkyne, whereas the latter are primarily involved in the donation only. This gives rise to a particularly stable arrangement, because the two highly polarizable Ru₃ triangles provide a mechanism for balancing the charges.

Original language	English
Pages (from-to)	383-391
Number of pages	9
Journal	Journal of Organometallic Chemistry
Volume	244
Issue number	4
DOIs	https://doi.org/10.1016/0022-328X(83)80047-3
Publication status	Published - 22 Mar 1983
Externally published	Yes

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10.1016/0022-328X(83)80047-3

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title = "The alkyne-cluster interaction in a ruthenium {"}butterfly{"} acetylenic carbonyl complex. An UV-PES and theoretical study",

abstract = "The electronic structure of {"}butterfly{"} Ru4(CO)12(RC2R) cluster complexes is discussed on the basis of He(I) PE spectroscopy and CNDO quantum mechanical calculations. The theoretical results contribute to the discussion of the PE data and provide novel insights into the alkyne-cluster bonding scheme. The most interesting feature emerging from this study is the different roles of the {"}hinge{"} and {"}wing{"} ruthenium atoms: the former are involved in both donation and back-donation with the alkyne, whereas the latter are primarily involved in the donation only. This gives rise to a particularly stable arrangement, because the two highly polarizable Ru3 triangles provide a mechanism for balancing the charges.",

author = "Gaetano Granozzi and Renzo Bertoncello and Mario Acampora and David Aj{\`o} and Domenico Osella and Silvio Aime",

note = "Funding Information: We thank the Cons\&ho Nazionale delle Ricerche (C.N.R., Rome) for generous financial support to this study and Prof. E. Tondello (University of Padova) and Prof. E. Rosenberg (California State University) for helpful suggestions.",

year = "1983",

month = mar,

day = "22",

doi = "10.1016/0022-328X(83)80047-3",

language = "English",

volume = "244",

pages = "383--391",

journal = "Journal of Organometallic Chemistry",

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TY - JOUR

T1 - The alkyne-cluster interaction in a ruthenium "butterfly" acetylenic carbonyl complex. An UV-PES and theoretical study

AU - Granozzi, Gaetano

AU - Bertoncello, Renzo

AU - Acampora, Mario

AU - Ajò, David

AU - Osella, Domenico

AU - Aime, Silvio

N1 - Funding Information: We thank the Cons&ho Nazionale delle Ricerche (C.N.R., Rome) for generous financial support to this study and Prof. E. Tondello (University of Padova) and Prof. E. Rosenberg (California State University) for helpful suggestions.

PY - 1983/3/22

Y1 - 1983/3/22

N2 - The electronic structure of "butterfly" Ru4(CO)12(RC2R) cluster complexes is discussed on the basis of He(I) PE spectroscopy and CNDO quantum mechanical calculations. The theoretical results contribute to the discussion of the PE data and provide novel insights into the alkyne-cluster bonding scheme. The most interesting feature emerging from this study is the different roles of the "hinge" and "wing" ruthenium atoms: the former are involved in both donation and back-donation with the alkyne, whereas the latter are primarily involved in the donation only. This gives rise to a particularly stable arrangement, because the two highly polarizable Ru3 triangles provide a mechanism for balancing the charges.

AB - The electronic structure of "butterfly" Ru4(CO)12(RC2R) cluster complexes is discussed on the basis of He(I) PE spectroscopy and CNDO quantum mechanical calculations. The theoretical results contribute to the discussion of the PE data and provide novel insights into the alkyne-cluster bonding scheme. The most interesting feature emerging from this study is the different roles of the "hinge" and "wing" ruthenium atoms: the former are involved in both donation and back-donation with the alkyne, whereas the latter are primarily involved in the donation only. This gives rise to a particularly stable arrangement, because the two highly polarizable Ru3 triangles provide a mechanism for balancing the charges.

UR - https://www.scopus.com/pages/publications/33748636126

U2 - 10.1016/0022-328X(83)80047-3

DO - 10.1016/0022-328X(83)80047-3

M3 - Article

SN - 0022-328X

VL - 244

SP - 383

EP - 391

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

IS - 4

ER -

The alkyne-cluster interaction in a ruthenium "butterfly" acetylenic carbonyl complex. An UV-PES and theoretical study

Abstract

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