The synthesis and structure of the symmetrical isomer of C5H–

Blanksby, Stephen J.; Dua, Suresh; Bowie, John H.; Sheldon, John C.

doi:10.1039/a703475j

Cited by 7 publications

(8 citation statements)

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“…1998), whilst C 3 H – was produced from allene (H 2 C=C=CH 2 ) and molecular oxygen in a Branscomb discharge source (Oakes & Ellison 1986). Gas‐phase preparation of C 3 H – , C 5 H – and C 7 H – in a mass spectrometer has also been reported (Dua, Bowie & Sheldon 1994; Blanksby et al. 1997; Dua, Bowie & Blanksby 1999).…”

Section: Trends In the Physical Properties With Increasing Chain Lementioning

confidence: 94%

Cumulenic and heterocumulenic anions: potential interstellar species?

Blanksby

McAnoy

Dua

et al. 2001

Monthly Notices of the Royal Astronomical Society

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A recent theoretical investigation by Terzieva & Herbst of linear carbon chains, Cn where n ≥ 6, in the interstellar medium has shown that these species can undergo efficient radiative association to form the corresponding anions. An experimental study by Barckholtz, Snow & Bierbaum of these anions has demonstrated that they do not react efficiently with molecular hydrogen, leading to the possibility of detectable abundances of cumulene‐type anions in dense interstellar and circumstellar environments. Here we present a series of electronic structure calculations which examine possible anionic candidates for detection in these media, namely the anion analogues of the previously identified interstellar cumulenes CnH and Cn−1CH2 and heterocumulenes CnO (where n = 2–10). The extraordinary electron affinities calculated for these molecules suggest that efficient radiative electron attachment could occur, and the large dipole moments of these simple (generally) linear molecules point to the possibility of detection by radio astronomy.

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Section: Trends In the Physical Properties With Increasing Chain Lementioning

confidence: 94%

Cumulenic and heterocumulenic anions: potential interstellar species?

Blanksby

McAnoy

Dua

et al. 2001

Monthly Notices of the Royal Astronomical Society

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“…Theoretical calculations performed at the time but not reported suggested the stability of the anions C 2 CHC 2 - , HC 2 C 3 - , and C 2 C 3 H - . We have since been able to synthesize C 2 CHC 2 - in the gas phase, but suitable precursors for the remaining two stable minima could not be prepared . We report here these calculations, showing both the structures and relative stabilities of the C 5 H anions.…”

Section: Introductionmentioning

confidence: 90%

Generation of Two Isomers of C₅H from the Corresponding Anions. A Theoretically Motivated Mass Spectrometric Study

1999

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Molecular orbital calculations have predicted the stability of a range of connectivities for the radical C 5 H potential surface. The most energetically favorable of these include the linear C 4 CH geometry and two ringchain structures HC 2 C 3 and C 2 C 3 H. The corresponding anions are also shown to be theoretically stable, and furthermore, a fourth isomer, C 2 CHC 2 , is predicted to be the most stable anion connectivity. These results have motivated experimental efforts. Methodologies for the generation of the non-ring-containing isomeric anions C 4 CH and C 2 CHC 2 have been developed utilizing negative ion mass spectrometry. The absolute connectivities of the anions have been established using deuterium labeling, charge reversal, and neutralization reionization techniques. The success of the latter experiment confirms theoretical predictions of stability of the corresponding neutral species. This is the first reported observation of the neutral C 2 CHC 2 species that calculations predict to be substantially less stable than the C 4 CH connectivity but still bound relative to isomerization processes.

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“…The C 3 H radical is now known to exist in cyclic and linear forms, as the anion does. [21][22][23][24][25][26] The laboratory and astrophysical detection 22 of cyclic C 3 H has motivated several theoretical 16,17,27 and experimental [27][28][29] studies aimed at identifying other nonlinear isomers of the larger C n H chains. For even n, a single resonance structure of the linear chain with alternating acetylenic bonds dominates the energy landscape.…”

Section: Introductionmentioning

confidence: 99%

“…Haubrich et al 17 calculated vertical excitation energies to excited states of several neutral isomers. Bowie and co-workers 27,28,35 have theoretically investigated the anion, finding four low-lying isomers at the B3LYP level of theory. The linear anion is a triplet in its lowest energy state, followed closely by a singlet state only 0.13 eV higher in energy.…”

Section: Introductionmentioning

confidence: 99%

Anion photoelectron spectroscopy of C5H−

Sheehan

Parsons

Yen

et al. 2008

The Journal of Chemical Physics

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Anion photoelectron spectroscopy is performed on the C(5)H(-) species. Analogous to C(3)H(-) and C(3)D(-), photodetachment transitions are observed from multiple, energetically close-lying isomers of the anion. A linear and a cyclic structure are found to have electron binding energies of 2.421+/-0.019 eV and 2.857+/-0.028 eV, respectively. A cyclic excited state is also found to be 1.136 eV above the linear (2)Pi C(5)H ground state. Based on our assignments of the observed transitions and previous calculations on the energetics of neutral C(5)H isomers, the cyclic (1)A(1) anion state is found to lie 0.163 eV below the (3)A linear anion.

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The synthesis and structure of the symmetrical isomer of C5H–

Cited by 7 publications

References 12 publications

Cumulenic and heterocumulenic anions: potential interstellar species?

Cumulenic and heterocumulenic anions: potential interstellar species?

Generation of Two Isomers of C₅H from the Corresponding Anions. A Theoretically Motivated Mass Spectrometric Study

Anion photoelectron spectroscopy of C5H−

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The synthesis and structure of the symmetrical isomer of C5H–

Cited by 7 publications

References 12 publications

Cumulenic and heterocumulenic anions: potential interstellar species?

Cumulenic and heterocumulenic anions: potential interstellar species?

Generation of Two Isomers of C5H from the Corresponding Anions. A Theoretically Motivated Mass Spectrometric Study

Anion photoelectron spectroscopy of C5H−

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Generation of Two Isomers of C₅H from the Corresponding Anions. A Theoretically Motivated Mass Spectrometric Study