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

Research output: Contribution to journal › Article › peer-review

61 Scopus Citations

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

NLR Publication Number

NREL/JA-510-32886

Access to Document

Cite this

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

@article{cb6dfd451a384407a860efc2c559a56d,

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,

day = "1",

doi = "10.1063/1.1496473",

language = "American English",

volume = "117",

pages = "4323--4339",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "9",

}

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.

UR - https://www.scopus.com/pages/publications/0036732062

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

NLR Publication Number

Access to Document

Other files and links

Fingerprint

Cite this