A nuclear magnetic resonance study of spiropentane dissolved in a nematic solvent

Buckingham, A. D.; Burnell, E. Elliott; Lange, C.A. de

doi:10.1080/00268976900100951

Cited by 21 publications

(6 citation statements)

References 6 publications

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“…Chemie Spiro[2.2]pentane (27) has a molecular structure with D 2d point group as maximum symmetry. Its molecular dimensions were determined by electron diffraction (ED) in the gas phase, [80] by NMR spectroscopy in at least two liquid crystalline phases (LC), [81][82][83] and by low-temperature singlecrystal X-ray diffraction (m.p. of spiropentane À115 8C).…”

Section: Methodsmentioning

confidence: 99%

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C

Schmidbaur

Schier

2012

Angew Chem Int Ed

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The revitalized concept of "coordination at carbon" allows relationships between seemingly unrelated families of carbon-centered compounds to be discovered generating fascinating patchwork families of compounds. It is shown how olefins and cyclopropanes can be regarded as donors for carbon acceptors C(1), C(2), and C(3). Through this approach, hydrocarbons such as spiropentane and dicyclopropylidene are found to be counterparts of the bis-ylidic carbodiphosphoranes and the corresponding mixed mono-ylidic systems.

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Section: Methodsmentioning

confidence: 99%

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C

Schmidbaur

Schier

2012

Angew Chem Int Ed

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“…Since the ED values includes contributions from all thermally populated states, it would be expected that the B a value deduced from the ED structure would actually be lower, not higher, than B 0 . Several authors [17][18][19] have raised questions about the electron diffraction results, particularly about the CH 2 angle,…”

Section: Rovibrational Level Expressionsmentioning

confidence: 99%

High-resolution infrared studies of perdeutero-spiropentane, C5D8

Erickson

Nibler

et al. 2016

Journal of Molecular Spectroscopy

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Perdeutero-spiropentane (C 5 D 8) has been synthesized, and infrared and Raman spectra are reported for the first time. Wavenumber assignments are made for most of the fundamental vibrational states. Gas phase infrared spectra were recorded at a resolution (0.002 cm-1) sufficient to resolve individual rovibrational lines and show evidence of strong Coriolis and/or Fermi resonance interactions for most bands. However a detailed rovibrational analysis of the fundamental ν 15 (b 2) parallel band proved possible, and a fit of more than 1600 lines yielded a band origin of 1053.84465(10) cm-1 and ground state constants (in units of cm-1): B 0 = 0.1120700(9), D J = 1.51(3) x10-8 , D JK = 3.42(15) x10-8. We note that the B 0 value is significantly less than a value of B a = 0.1140 cm-1 calculated using structural parameters from an earlier electron diffraction (ED) study, whereas one expects B a to be lower than B 0 because of thermal averaging over higher vibrational levels. A similar discrepancy was noted in an earlier study of C 5 H 8 [1]. The structural and spectroscopic results are in good accord with values computed at the anharmonic level using the B3LYP density functional method with a cc-pVTZ basis set.

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“…Spiro[2.2]pentane ( 27 ) has a molecular structure with D 2 d point group as maximum symmetry. Its molecular dimensions were determined by electron diffraction (ED) in the gas phase,80 by NMR spectroscopy in at least two liquid crystalline phases (LC),81–83 and by low‐temperature single‐crystal X‐ray diffraction (m.p. of spiropentane −115 °C) 84.…”

Section: Homo‐ and Heteroleptic σ‐ And π‐Coordination At A Carbon mentioning

confidence: 99%

BiotecVisions 2014, February

2014

Biotechnology Journal

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The revitalized concept of “coordination at carbon” allows relationships between seemingly unrelated families of carbon‐centered compounds to be discovered generating fascinating patchwork families of compounds. It is shown how olefins and cyclopropanes can be regarded as donors for carbon acceptors C1, C2, and C3. Through this approach, hydrocarbons such as spiropentane and dicyclopropylidene are found to be counterparts of the bis‐ylidic carbodiphosphoranes and the corresponding mixed mono‐ylidic systems.

show abstract

A nuclear magnetic resonance study of spiropentane dissolved in a nematic solvent

Cited by 21 publications

References 6 publications

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C

High-resolution infrared studies of perdeutero-spiropentane, C5D8

BiotecVisions 2014, February

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A nuclear magnetic resonance study of spiropentane dissolved in a nematic solvent

Cited by 21 publications

References 6 publications

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph3P)2C, (Ph3P)C(C2H4), and (C2H4)2C

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph3P)2C, (Ph3P)C(C2H4), and (C2H4)2C

High-resolution infrared studies of perdeutero-spiropentane, C5D8

BiotecVisions 2014, February

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Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C

Coordination Chemistry at Carbon: The Patchwork Family Comprising (Ph₃P)₂C, (Ph₃P)C(C₂H₄), and (C₂H₄)₂C