Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC

Mark R. Nimlos; Gustavo Davico; C. Michael Geise; Paul G. Wenthold; W. Carl Lineberger; Stephen J. Blanksby; Christopher M. Hadad; George A. Petersson; G. Barney Ellison

doi:10.1063/1.1496473

Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC

Mark R. Nimlos, Gustavo Davico, C. Michael Geise, Paul G. Wenthold, W. Carl Lineberger, Stephen J. Blanksby, Christopher M. Hadad, George A. Petersson, G. Barney Ellison

Renewable Resources and Enabling Sciences Center

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Abstract

Molecular structure of HCCN^- and HCNC^- ions was studied. Photoelectron spectroscopy of these ions revealed the quasilinear triplet carbenes, HCCN and HCNC. Proton transfer kinetics in a flowing afterglow apparatus were used to re-measure the enthalpy of deprotonation of CH₃NC. For the isocyanocarbene, the two lowest states switch and HCNC was found to have a singlet ground state and an excited triplet state.

Original language	American English
Pages (from-to)	4323-4339
Number of pages	17
Journal	The Journal of Chemical Physics
Volume	117
Issue number	9
DOIs	https://doi.org/10.1063/1.1496473 https://doi.org/10.1063/1.1496473
State	Published - 1 Sep 2002

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NREL/JA-510-32886

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Nimlos, M. R., Davico, G., Geise, C. M., Wenthold, P. G., Lineberger, W. C., Blanksby, S. J., Hadad, C. M., Petersson, G. A., & Ellison, G. B. (2002). Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC. The Journal of Chemical Physics, 117(9), 4323-4339. https://doi.org/10.1063/1.1496473, https://doi.org/10.1063/1.1496473

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title = "Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC",

abstract = "Molecular structure of HCCN- and HCNC- ions was studied. Photoelectron spectroscopy of these ions revealed the quasilinear triplet carbenes, HCCN and HCNC. Proton transfer kinetics in a flowing afterglow apparatus were used to re-measure the enthalpy of deprotonation of CH3NC. For the isocyanocarbene, the two lowest states switch and HCNC was found to have a singlet ground state and an excited triplet state.",

author = "Nimlos, {Mark R.} and Gustavo Davico and Geise, {C. Michael} and Wenthold, {Paul G.} and Lineberger, {W. Carl} and Blanksby, {Stephen J.} and Hadad, {Christopher M.} and Petersson, {George A.} and Ellison, {G. Barney}",

year = "2002",

month = sep,

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doi = "10.1063/1.1496473",

language = "American English",

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journal = "The Journal of Chemical Physics",

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Nimlos, MR, Davico, G, Geise, CM, Wenthold, PG, Lineberger, WC, Blanksby, SJ, Hadad, CM, Petersson, GA & Ellison, GB 2002, 'Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC', The Journal of Chemical Physics, vol. 117, no. 9, pp. 4323-4339. https://doi.org/10.1063/1.1496473, https://doi.org/10.1063/1.1496473

TY - JOUR

T1 - Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC

AU - Nimlos, Mark R.

AU - Davico, Gustavo

AU - Geise, C. Michael

AU - Wenthold, Paul G.

AU - Lineberger, W. Carl

AU - Blanksby, Stephen J.

AU - Hadad, Christopher M.

AU - Petersson, George A.

AU - Ellison, G. Barney

PY - 2002/9/1

Y1 - 2002/9/1

N2 - Molecular structure of HCCN- and HCNC- ions was studied. Photoelectron spectroscopy of these ions revealed the quasilinear triplet carbenes, HCCN and HCNC. Proton transfer kinetics in a flowing afterglow apparatus were used to re-measure the enthalpy of deprotonation of CH3NC. For the isocyanocarbene, the two lowest states switch and HCNC was found to have a singlet ground state and an excited triplet state.

AB - Molecular structure of HCCN- and HCNC- ions was studied. Photoelectron spectroscopy of these ions revealed the quasilinear triplet carbenes, HCCN and HCNC. Proton transfer kinetics in a flowing afterglow apparatus were used to re-measure the enthalpy of deprotonation of CH3NC. For the isocyanocarbene, the two lowest states switch and HCNC was found to have a singlet ground state and an excited triplet state.

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U2 - 10.1063/1.1496473

DO - 10.1063/1.1496473

M3 - Article

AN - SCOPUS:0036732062

SN - 0021-9606

VL - 117

SP - 4323

EP - 4339

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 9

ER -

Photoelectron Spectroscopy of HCCN/sup-/ and HCNC/sup-/ Reveals the Quasilinear Triplet Carbenes, HCCN and HCNC

Abstract

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