Bonding in Cyclobutabenzene Chromium Tricarbonyl Complexes Studied by 13C NMR: Evidence of π-Bond Localization from 1J(13C,13C)

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  • Max-Planck-Institut für Kohlenforschung
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Original languageEnglish
Pages (from-to)483-487
Number of pages5
JournalZeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
Volume50
Issue number4
Publication statusPublished - Apr 1995
Externally publishedYes

Abstract

The13C NMR parameters of several cyclobutabenzenes (1a-1e) and their corresponding complexes (cyclobutabenzene)M(CO)3(M = Cr, Mo, W. 2–4) are presented and discussed. Two cyclobutabenzenes 1b and 1d and their chromium tricarbonyl complexes 2b and 2d have been examined in greater detail: the signal assignments have been confirmed by 2 D-IN ADEQUATE and the one bond coupling constants 1J(13C13C) measured at natural abundance using 1 D-INADEQUATE. Although the results provide no insight into why the chromium complex of 1,2-dioxocyclobutabenzene (1e) is much more reactive at the keto groups than le itself, they do reveal a weak but not negligible alternation of the carbon s-character in the C-C bonds of the 6-membered rings both in the free cyclobutabenzenes and in the complexes, thus providing evidence for slight bond fixation (Mills-Nixon effect).

Keywords

    C NMR Spectra, Cyclobutabenzene, Mills-Nixon Effect

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Bonding in Cyclobutabenzene Chromium Tricarbonyl Complexes Studied by 13C NMR: Evidence of π-Bond Localization from 1J(13C,13C). / Butenschön, H.; Gabor, B.; Mynott, R. et al.
In: Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, Vol. 50, No. 4, 04.1995, p. 483-487.

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title = "Bonding in Cyclobutabenzene Chromium Tricarbonyl Complexes Studied by 13C NMR: Evidence of π-Bond Localization from 1J(13C,13C)",
abstract = "The13C NMR parameters of several cyclobutabenzenes (1a-1e) and their corresponding complexes (cyclobutabenzene)M(CO)3(M = Cr, Mo, W. 2–4) are presented and discussed. Two cyclobutabenzenes 1b and 1d and their chromium tricarbonyl complexes 2b and 2d have been examined in greater detail: the signal assignments have been confirmed by 2 D-IN ADEQUATE and the one bond coupling constants 1J(13C13C) measured at natural abundance using 1 D-INADEQUATE. Although the results provide no insight into why the chromium complex of 1,2-dioxocyclobutabenzene (1e) is much more reactive at the keto groups than le itself, they do reveal a weak but not negligible alternation of the carbon s-character in the C-C bonds of the 6-membered rings both in the free cyclobutabenzenes and in the complexes, thus providing evidence for slight bond fixation (Mills-Nixon effect).",
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TY - JOUR

T1 - Bonding in Cyclobutabenzene Chromium Tricarbonyl Complexes Studied by 13C NMR

T2 - Evidence of π-Bond Localization from 1J(13C,13C)

AU - Butenschön, H.

AU - Gabor, B.

AU - Mynott, R.

AU - Wey, H. G.

PY - 1995/4

Y1 - 1995/4

N2 - The13C NMR parameters of several cyclobutabenzenes (1a-1e) and their corresponding complexes (cyclobutabenzene)M(CO)3(M = Cr, Mo, W. 2–4) are presented and discussed. Two cyclobutabenzenes 1b and 1d and their chromium tricarbonyl complexes 2b and 2d have been examined in greater detail: the signal assignments have been confirmed by 2 D-IN ADEQUATE and the one bond coupling constants 1J(13C13C) measured at natural abundance using 1 D-INADEQUATE. Although the results provide no insight into why the chromium complex of 1,2-dioxocyclobutabenzene (1e) is much more reactive at the keto groups than le itself, they do reveal a weak but not negligible alternation of the carbon s-character in the C-C bonds of the 6-membered rings both in the free cyclobutabenzenes and in the complexes, thus providing evidence for slight bond fixation (Mills-Nixon effect).

AB - The13C NMR parameters of several cyclobutabenzenes (1a-1e) and their corresponding complexes (cyclobutabenzene)M(CO)3(M = Cr, Mo, W. 2–4) are presented and discussed. Two cyclobutabenzenes 1b and 1d and their chromium tricarbonyl complexes 2b and 2d have been examined in greater detail: the signal assignments have been confirmed by 2 D-IN ADEQUATE and the one bond coupling constants 1J(13C13C) measured at natural abundance using 1 D-INADEQUATE. Although the results provide no insight into why the chromium complex of 1,2-dioxocyclobutabenzene (1e) is much more reactive at the keto groups than le itself, they do reveal a weak but not negligible alternation of the carbon s-character in the C-C bonds of the 6-membered rings both in the free cyclobutabenzenes and in the complexes, thus providing evidence for slight bond fixation (Mills-Nixon effect).

KW - C NMR Spectra

KW - Cyclobutabenzene

KW - Mills-Nixon Effect

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DO - 10.1515/znb-1995-0405

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