The crystal structure of dicobalt octacarbonyl

Sumner, G.; Klug, Harold P.; Alexander, Leroy E.

doi:10.1107/s0365110x64001803

Cited by 245 publications

(82 citation statements)

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“…Although chemical intuition (here conveyed by the socalled 18-electron rule) and the observed MM distances in M 2 (CO) n systems would suggest the presence of single, localized MM bonds, 4 it was soon recognized that such a simplified scheme cannot correctly explain this bonding, which actually originates from the interplay of more valence bond configurations. The complexity of the interactions increases when one or more carbonyl ligands bridge two metals (supported MM bond), and the presence of a direct MM bond is in fact more questionable.…”

Section: Introductionmentioning

confidence: 99%

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems

et al. 2015

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The metal-metal interaction in policarbonyl metal clusters remains one of the most challenging and controversial issues in metal-organic chemistry, being at heart of a generalized understanding of chemical bonding and of specific applications of these molecules. In this work, the interacting quantum atoms (IQA) approach is used to study the metal-metal interaction in dimetal polycarbonyl dimers, analysing bridgedclusters. In all systems, a delocalized covalent bond is found to occur, involving the metals and the carbonyls, but the global stability of the dimers mainly originates from the coulombic attraction between the metals and the oxygens.

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Section: Introductionmentioning

confidence: 99%

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems

et al. 2015

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“…Sumner et al (1964) proposed a simple pairing scheme which invokes a metal-metal bond directed along the line connecting the metal atoms to satisfy the 18-electron rule. The existence of a direct metal-metal bond in both compounds seems to have been quite generally accepted (Braterman, 1972;Cotton & Wilkinson, 1972, and other textbooks).…”

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confidence: 99%

Experimental charge density study of dicobalt octacarbonyl and comparison with theory

Leung¹,

Coppens²

1983

Acta Crystallogr Sect B

118

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The second point demonstrated by the present experiments is that the determination of transitionmetal ordering is not difficult using only powder X-ray diffraction techniques. In the present calculation, the fixed atomic parameters and B factors of V3S 4 were used, because the number of reflections sufficient to measure the accurate intensity was limited to seven, and was thus much less than the number of parameters to be determined. Even so, the reliability of the NOA model can obviously be recognized in the differences in R values (Table 1), and in the match of F o and F c, especially for reflections 002, 101, 202 and 013, the structure factors of which are dominantly contributed to by the difference in the atomic scattering factors allocated to M(1) and M(2). This easy recognition of metal ordering suggests the possibility of investigating the behaviour of metal ordering 'at high temperatures'. This may elucidate the question of whether vacancy ordering and different metal ordering are coupled or are independent, because the in situ X-ray diffraction experiments at high temperature have so far concerned only vacancy ordering (e.g. Nakazawa, Saeki & Nakahira, 1975; Nakazawa, 1979; Wada, 1979a,b). The use of synchrotron-radiation X-rays may be particularly helpful in this context, because of tunability for a given wavelength and the intense flux. AbstractThe structure of dicobalt octacarbonyl, Co2(CO)8, has been redetermined at low temperature. Cell dimensions at 100 K are: a = 6.503 ( theoretical results predicting metal-metal bonding through the bridging ligand, d-Orbital populations derived from the refinement results agree well with theoretical values. The splitting of the 'eg-type' levels is evident when the refinement is performed in a coordinate system fitted to the local pseudo octahedral symmetry.

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“…The coordination geometry of the metal center does not exhibit any noticeable deviation from that of regular alkyne dicobalt complexes [12]. The Co Ã/Co bond length (2.468(2) Å ) is shorter than the Co Ã/Co bond length of 2.52 Å in [Co 2 (CO) 8 ] [13], but is similar to Co Ã/Co lengths found in related m-alkyne complexes [14]. The bond length between C1 and C2 is 1.301 Å and the dihedral angle between C1 Ã/C2 Ã/C3 is 142.158.…”

Section: Hyperpolarizability Measurementmentioning

confidence: 99%

Synthesis and non-linear optical properties of (alkyne)dicobalt octacarbonyl complexes and their substitution derivatives

Lee

Shin

Yoon

et al. 2003

Inorganica Chimica Acta

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The crystal structure of dicobalt octacarbonyl

Cited by 245 publications

References 2 publications

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems

Experimental charge density study of dicobalt octacarbonyl and comparison with theory

Synthesis and non-linear optical properties of (alkyne)dicobalt octacarbonyl complexes and their substitution derivatives

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The crystal structure of dicobalt octacarbonyl

Cited by 245 publications

References 2 publications

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M2(CO)8]n Systems

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M2(CO)8]n Systems

Experimental charge density study of dicobalt octacarbonyl and comparison with theory

Synthesis and non-linear optical properties of (alkyne)dicobalt octacarbonyl complexes and their substitution derivatives

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An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems

An Interacting Quantum Atoms Analysis of the Metal–Metal Bond in [M₂(CO)₈]ⁿ Systems