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Title: The ionization energy of C2

Authors:
 [1];  [2]; ORCiD logo [1];  [1];  [1];  [3]; ORCiD logo [1]
+ Show Author Affiliations
  1. School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia
  2. School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia
  3. Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1246472
Grant/Contract Number:  
FG02-07ER1588
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 144 Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Krechkivska, O., Bacskay, G. B., Welsh, B. A., Nauta, K., Kable, S. H., Stanton, J. F., and Schmidt, T. W. The ionization energy of C2. United States: N. p., 2016. Web. doi:10.1063/1.4944932.
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Krechkivska, O., Bacskay, G. B., Welsh, B. A., Nauta, K., Kable, S. H., Stanton, J. F., & Schmidt, T. W. The ionization energy of C2. United States. https://doi.org/10.1063/1.4944932
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Krechkivska, O., Bacskay, G. B., Welsh, B. A., Nauta, K., Kable, S. H., Stanton, J. F., and Schmidt, T. W. Mon . "The ionization energy of C2". United States. https://doi.org/10.1063/1.4944932.
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@article{osti_1246472,
title = {The ionization energy of C2},
author = {Krechkivska, O. and Bacskay, G. B. and Welsh, B. A. and Nauta, K. and Kable, S. H. and Stanton, J. F. and Schmidt, T. W.},
abstractNote = {},
doi = {10.1063/1.4944932},
journal = {The Journal of Chemical Physics},
number = 14,
volume = 144,
place = {United States},
year = {Mon Apr 11 00:00:00 EDT 2016},
month = {Mon Apr 11 00:00:00 EDT 2016}
}
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https://doi.org/10.1063/1.4944932
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Works referenced in this record:

Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values
journal, November 2013

  • Ruscic, Branko; Feller, David; Peterson, Kirk A.
  • Theoretical Chemistry Accounts, Vol. 133, Issue 1
  • DOI: 10.1007/s00214-013-1415-z

Ab initio MRD-CI study of ethane: The 14–25 eV PES region and Rydberg states of positive ions
journal, March 1978

The C2 Ballik-Ramsay transitions in carbon stars
journal, September 1990

  • Goorvitch, David
  • The Astrophysical Journal Supplement Series, Vol. 74
  • DOI: 10.1086/191517

The peculiar object HD 44179 /'The red rectangle'/
journal, February 1975

  • Cohen, M.; Anderson, C. M.; Cowley, A.
  • The Astrophysical Journal, Vol. 196
  • DOI: 10.1086/153403

Insights into the Perplexing Nature of the Bonding in C 2 from Generalized Valence Bond Calculations
journal, November 2013

  • Xu, Lu T.; Dunning, Thom H.
  • Journal of Chemical Theory and Computation, Vol. 10, Issue 1
  • DOI: 10.1021/ct400867h

Vacuum ultraviolet photoionization mass spectrometric study of C 6 0
journal, January 1992

  • Yoo, R. K.; Ruscic, B.; Berkowitz, J.
  • The Journal of Chemical Physics, Vol. 96, Issue 2
  • DOI: 10.1063/1.462112

Appearance and ionization energies of singly, doubly and triply charged C60 and its fragment ions produced by electron impact ionization
journal, October 1994

  • Scheier, P.; Dünser, B.; Wörgötter, R.
  • International Journal of Mass Spectrometry and Ion Processes, Vol. 138
  • DOI: 10.1016/0168-1176(94)04034-6

Detection of C60 and C70 in a Young Planetary Nebula
journal, July 2010

Current assessment of the Red Rectangle band problem
journal, September 2009

  • Glinski, R. J.; Michaels, P. D.; Anderson, C. M.
  • Astrophysics and Space Science, Vol. 323, Issue 4
  • DOI: 10.1007/s10509-009-0084-9

Sequence Structure Emission in the Red Rectangle Bands
journal, March 2006

  • Sharp, R. G.; Reilly, N. J.; Kable, S. H.
  • The Astrophysical Journal, Vol. 639, Issue 1
  • DOI: 10.1086/499260

Fluorescent vibration-rotation excitation of cometary C2
journal, March 1989

  • Gredel, R.; van Dishoeck, E. F.; Black, J. H.
  • The Astrophysical Journal, Vol. 338
  • DOI: 10.1086/167257

Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C 2 and observation of forbidden transitions between singlet and triplet states
journal, February 2015

  • Chen, Wang; Kawaguchi, Kentarou; Bernath, Peter F.
  • The Journal of Chemical Physics, Vol. 142, Issue 6
  • DOI: 10.1063/1.4907530

Quantum electrodynamical corrections to the fine structure of helium
journal, January 1974

A state‐selected study of the unimolecular decomposition of C 2 H + 2 ( A ̃, B ̃) using the photoion–photoelectron coincidence method
journal, September 1989

  • Norwood, K.; Ng, C. Y.
  • The Journal of Chemical Physics, Vol. 91, Issue 5
  • DOI: 10.1063/1.456960

Electroionization study of acetylene and fragment ions
journal, May 1986

  • Plessis, Pierre; Marmet, Paul
  • International Journal of Mass Spectrometry and Ion Processes, Vol. 70, Issue 1
  • DOI: 10.1016/0168-1176(86)85059-5

Observation and atomization energies of the gaseous uranium carbides, UC, UC2, UC3, UC4, UC5, and UC6 by high temperature mass spectrometry
journal, January 1979

  • Gupta, Satish K.; Gingerich, Karl A.
  • The Journal of Chemical Physics, Vol. 71, Issue 7
  • DOI: 10.1063/1.438713

Critical Comments on “One Molecule, Two Atoms, Three Views, Four Bonds?”
journal, April 2013

  • Frenking, Gernot; Hermann, Markus
  • Angewandte Chemie International Edition, Vol. 52, Issue 23
  • DOI: 10.1002/anie.201301485

An efficient internally contracted multiconfiguration–reference configuration interaction method
journal, November 1988

  • Werner, Hans‐Joachim; Knowles, Peter J.
  • The Journal of Chemical Physics, Vol. 89, Issue 9
  • DOI: 10.1063/1.455556

The B ̃  4 Σ − u – X ̃  4 Σ − g electronic spectrum of C + 2
journal, April 1988

  • Maier, John P.; Rösslein, Matthias
  • The Journal of Chemical Physics, Vol. 88, Issue 8
  • DOI: 10.1063/1.453774

Bond Dissociation Energies of Organic Molecules
journal, April 2003

  • Blanksby, Stephen J.; Ellison, G. Barney
  • Accounts of Chemical Research, Vol. 36, Issue 4
  • DOI: 10.1021/ar020230d

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon
journal, December 1996

A second order multiconfiguration SCF procedure with optimum convergence
journal, June 1985

  • Werner, Hans‐Joachim; Knowles, Peter J.
  • The Journal of Chemical Physics, Vol. 82, Issue 11
  • DOI: 10.1063/1.448627

Coupled-cluster methods including noniterative corrections for quadruple excitations
journal, August 2005

  • Bomble, Yannick J.; Stanton, John F.; Kállay, Mihály
  • The Journal of Chemical Physics, Vol. 123, Issue 5
  • DOI: 10.1063/1.1950567

Hubble Space Telescope observations of C2 molecules in diffuse interstellar clouds
journal, January 1995

  • Lambert, David L.; Sheffer, Yaron; Federman, S. R.
  • The Astrophysical Journal, Vol. 438
  • DOI: 10.1086/175119

Reactions of Gaseous Ions. II. Acetylene
journal, June 1957

  • Field, F. H.; Franklin, J. L.; Lampe, F. W.
  • Journal of the American Chemical Society, Vol. 79, Issue 11
  • DOI: 10.1021/ja01568a001

Configuration interaction calculations on the nitrogen molecule
journal, January 1974

  • Langhoff, Stephen R.; Davidson, Ernest R.
  • International Journal of Quantum Chemistry, Vol. 8, Issue 1
  • DOI: 10.1002/qua.560080106

Determination of the ionization and dissociation energies of the hydrogen molecule
journal, May 2009

  • Liu, Jinjun; Salumbides, Edcel J.; Hollenstein, Urs
  • The Journal of Chemical Physics, Vol. 130, Issue 17
  • DOI: 10.1063/1.3120443

Oscillator strengths and radiative lifetimes for C2: Swan, Ballik-Ramsay, Phillips, and dΠg3←cΣu+3 systems
journal, February 2007

  • Kokkin, Damian L.; Bacskay, George B.; Schmidt, Timothy W.
  • The Journal of Chemical Physics, Vol. 126, Issue 8
  • DOI: 10.1063/1.2436879

Resonance-Enhanced 2-Photon Ionization Scheme for C 2 through a Newly Identified Band System: 4 3 Π g – a 3 Π u
journal, July 2015

  • Krechkivska, Olha; Bacskay, George B.; Troy, Tyler P.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 50
  • DOI: 10.1021/acs.jpca.5b05685

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
journal, April 1988

High-resolution spectroscopy of the 22Πu←X4Σg− forbidden transitions of C2+
journal, October 2004

  • Tarsitano, Christopher G.; Neese, Christopher F.; Oka, Takeshi
  • The Journal of Chemical Physics, Vol. 121, Issue 13
  • DOI: 10.1063/1.1787493

An efficient second-order MC SCF method for long configuration expansions
journal, April 1985

HEAT: High accuracy extrapolated ab initio thermochemistry
journal, December 2004

  • Tajti, Attila; Szalay, Péter G.; Császár, Attila G.
  • The Journal of Chemical Physics, Vol. 121, Issue 23
  • DOI: 10.1063/1.1811608

High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification
journal, August 2006

  • Bomble, Yannick J.; Vázquez, Juana; Kállay, Mihály
  • The Journal of Chemical Physics, Vol. 125, Issue 6
  • DOI: 10.1063/1.2206789

Detection of C2 in the interstellar spectrum of Cygnus OB2 number 12 /VI Cygni number 12/
journal, August 1977

  • Souza, S. P.; Lutz, B. L.
  • The Astrophysical Journal, Vol. 216
  • DOI: 10.1086/182507

Thermodynamic investigation of the gaseous molecules TiRh, Rh 2 , and Ti 2 Rh by mass spectrometry
journal, March 1974

  • Cocke, D. L.; Gingerich, K. A.
  • The Journal of Chemical Physics, Vol. 60, Issue 5
  • DOI: 10.1063/1.1681301

Statistical equilibrium in cometary C2. II - Swan/Phillips band ratios
journal, July 1979

  • Swamy, K. S. K.; Odell, C. R.
  • The Astrophysical Journal, Vol. 231
  • DOI: 10.1086/157223

Mass spectrometric determination of the bond dissociation energies of the molecules cerium-palladium and cerium dicarbide
journal, August 1972

  • Cocke, D. L.; Gingerich, K. A.
  • The Journal of Physical Chemistry, Vol. 76, Issue 16
  • DOI: 10.1021/j100660a025

Detection of two interstellar absorption bands coincident with spectral features of C60+
journal, May 1994

  • Foing, B. H.; Ehrenfreund, P.
  • Nature, Vol. 369, Issue 6478
  • DOI: 10.1038/369296a0

Gaussian basis sets for use in correlated molecular calculations. V. Core‐valence basis sets for boron through neon
journal, September 1995

  • Woon, David E.; Dunning, Thom H.
  • The Journal of Chemical Physics, Vol. 103, Issue 11
  • DOI: 10.1063/1.470645

The ionization energy of Be2, and spectroscopic characterization of the (1)3Σ+u, (2)3Πg, and (3)3Πg states
journal, January 2008

  • Merritt, Jeremy M.; Kaledin, Alexey L.; Bondybey, Vladimir E.
  • Physical Chemistry Chemical Physics, Vol. 10, Issue 27
  • DOI: 10.1039/b803975e

Near threshold photodissociation of acetylene
journal, January 1998

  • Mordaunt, David H.; Ashfold, Michael N. R.; Dixon, Richard N.
  • The Journal of Chemical Physics, Vol. 108, Issue 2
  • DOI: 10.1063/1.475415

One Molecule, Two Atoms, Three Views, Four Bonds?
journal, January 2013

  • Shaik, Sason; Rzepa, Henry S.; Hoffmann, Roald
  • Angewandte Chemie International Edition, Vol. 52, Issue 10
  • DOI: 10.1002/anie.201208206

Mass Spectrometric Study of Carbon Vapor
journal, October 1959

  • Drowart, J.; Burns, R. P.; DeMaria, G.
  • The Journal of Chemical Physics, Vol. 31, Issue 4
  • DOI: 10.1063/1.1730519

The 1 5 Π g state of C 2
journal, June 2011

  • Schmidt, Timothy W.; Bacskay, George B.
  • The Journal of Chemical Physics, Vol. 134, Issue 22
  • DOI: 10.1063/1.3599933

Electronic and infrared spectra of C+60 and C−60 in neon and argon matrices
journal, August 1993

Molecular Diffuse Interstellar Band Carriers in the Red Rectangle
journal, August 1995

Laboratory confirmation of C60+ as the carrier of two diffuse interstellar bands
journal, July 2015

The generalized Douglas–Kroll transformation
journal, November 2002

  • Wolf, Alexander; Reiher, Markus; Hess, Bernd Artur
  • The Journal of Chemical Physics, Vol. 117, Issue 20
  • DOI: 10.1063/1.1515314

Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets
journal, January 2001

  • de Jong, W. A.; Harrison, R. J.; Dixon, D. A.
  • The Journal of Chemical Physics, Vol. 114, Issue 1
  • DOI: 10.1063/1.1329891

High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview
journal, March 2008

  • Harding, Michael E.; Vázquez, Juana; Ruscic, Branko
  • The Journal of Chemical Physics, Vol. 128, Issue 11
  • DOI: 10.1063/1.2835612

Line strengths and updated molecular constants for the C2 Swan system
journal, July 2013

  • Brooke, James S. A.; Bernath, Peter F.; Schmidt, Timothy W.
  • Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 124
  • DOI: 10.1016/j.jqsrt.2013.02.025

The Chemical Bond in C 2
journal, January 2016

  • Hermann, Markus; Frenking, Gernot
  • Chemistry - A European Journal, Vol. 22, Issue 12
  • DOI: 10.1002/chem.201503762

Quantum chemical study and experimental observation of a new band system of C2, e Π3g−c Σ3u+
journal, July 2009

  • Nakajima, Masakazu; Joester, Jenna A.; Page, Nathan I.
  • The Journal of Chemical Physics, Vol. 131, Issue 4
  • DOI: 10.1063/1.3175013

Quadruple bonding in C2 and analogous eight-valence electron species
journal, January 2012

  • Shaik, Sason; Danovich, David; Wu, Wei
  • Nature Chemistry, Vol. 4, Issue 3
  • DOI: 10.1038/nchem.1263

Comment on “The Nature of the Fourth Bond in the Ground State of C 2 : The Quadruple Bond Conundrum”
journal, October 2015

Single-photon ionization of C60- and C70-fullerene with synchrotron radiation: determination of the ionization potential of C60
journal, January 1992

Detection of C60 in embedded young stellar objects, a Herbig Ae/Be star and an unusual post-asymptotic giant branch star: C60 in young stellar and other objects
journal, March 2012

  • Roberts, Kyle R. G.; Smith, Keith T.; Sarre, Peter J.
  • Monthly Notices of the Royal Astronomical Society, Vol. 421, Issue 4
  • DOI: 10.1111/j.1365-2966.2012.20552.x

High-resolution spectroscopy of the C2 Swan 0-0 band from Comet P/Halley
journal, April 1990

  • Lambert, D. L.; Sheffer, Y.; Danks, A. C.
  • The Astrophysical Journal, Vol. 353
  • DOI: 10.1086/168654

XII. A method of examining refractive and dispersive powers, by prismatic reflection
journal, December 1802

  • Wollaston, Wiiliam Hyde
  • Philosophical Transactions of the Royal Society of London, Vol. 92, p. 365-380
  • DOI: 10.1098/rstl.1802.0014
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