Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions
Abstract
High-resolution photoelectron imaging and photodetachment spectroscopy of cryogenically cooled pyrrolide and imidazolide anions are used to probe the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals. The high-resolution data allow the ground state vibronic structures of the two radicals to be completely resolved, yielding accurate electron affinities of 2.1433 ± 0.0008 eV and 2.6046 ± 0.0006 eV for pyrrolyl and imidazolyl radicals, respectively. Fundamental frequencies for eight vibrational modes of pyrrolyl and ten vibrational modes of imidazolyl are measured, including several nonsymmetric Franck–Condon-forbidden modes. Two electronic excited states are also observed for the two radicals, displaying diffuse spectral features in both systems. The observations of nonsymmetric vibrational modes in the ground states and the diffuse excited state features provide strong evidence for vibronic couplings between the ground state and the two close-by excited states. The 2-pyrrolide isomer is also observed as a minor species from the electrospray ionization source and the electron affinity of 2-pyrrolyl is measured to be 1.6690 ± 0.0030 eV along with five vibrational frequencies. Even though the HOMOs of both pyrrolide and imidazolide anions are p orbitals, photodetachment spectroscopy reveals completely different threshold behaviors for the two anions: a d-wave-dominated spectrum for pyrrolide and anmore »
- Authors:
-
- Brown Univ., Providence, RI (United States)
- Publication Date:
- Research Org.:
- Brown Univ., Providence, RI (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE
- OSTI Identifier:
- 1875399
- Alternate Identifier(s):
- OSTI ID: 1847976
- Grant/Contract Number:
- SC0018679
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 24; Journal Issue: 11; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Zhang, Yue-Rou, Yuan, Dao-Fu, and Wang, Lai-Sheng. Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions. United States: N. p., 2022.
Web. doi:10.1039/d2cp00189f.
Zhang, Yue-Rou, Yuan, Dao-Fu, & Wang, Lai-Sheng. Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions. United States. https://doi.org/10.1039/d2cp00189f
Zhang, Yue-Rou, Yuan, Dao-Fu, and Wang, Lai-Sheng. Mon .
"Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions". United States. https://doi.org/10.1039/d2cp00189f. https://www.osti.gov/servlets/purl/1875399.
@article{osti_1875399,
title = {Probing the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals using high-resolution photoelectron imaging of cryogenically cooled anions},
author = {Zhang, Yue-Rou and Yuan, Dao-Fu and Wang, Lai-Sheng},
abstractNote = {High-resolution photoelectron imaging and photodetachment spectroscopy of cryogenically cooled pyrrolide and imidazolide anions are used to probe the electronic structure and spectroscopy of pyrrolyl and imidazolyl radicals. The high-resolution data allow the ground state vibronic structures of the two radicals to be completely resolved, yielding accurate electron affinities of 2.1433 ± 0.0008 eV and 2.6046 ± 0.0006 eV for pyrrolyl and imidazolyl radicals, respectively. Fundamental frequencies for eight vibrational modes of pyrrolyl and ten vibrational modes of imidazolyl are measured, including several nonsymmetric Franck–Condon-forbidden modes. Two electronic excited states are also observed for the two radicals, displaying diffuse spectral features in both systems. The observations of nonsymmetric vibrational modes in the ground states and the diffuse excited state features provide strong evidence for vibronic couplings between the ground state and the two close-by excited states. The 2-pyrrolide isomer is also observed as a minor species from the electrospray ionization source and the electron affinity of 2-pyrrolyl is measured to be 1.6690 ± 0.0030 eV along with five vibrational frequencies. Even though the HOMOs of both pyrrolide and imidazolide anions are p orbitals, photodetachment spectroscopy reveals completely different threshold behaviors for the two anions: a d-wave-dominated spectrum for pyrrolide and an s-wave-dominated spectrum for imidazolide. Furthermore, the current study provides a wealth of electronic and spectroscopic information, which is ideal to compare with more accurate vibronic coupling calculations for these two important radicals, as well as interesting information about the photodetachment dynamics of the two anions.},
doi = {10.1039/d2cp00189f},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 11,
volume = 24,
place = {United States},
year = {Mon Feb 21 00:00:00 EST 2022},
month = {Mon Feb 21 00:00:00 EST 2022}
}
Works referenced in this record:
Photodetachment of electrons from large molecular systems. Pyrrolate ion. Electron affinity of C4H4N
journal, March 1975
- Richardson, Jeffery H.; Stephenson, L. M.; Brauman, John I.
- Journal of the American Chemical Society, Vol. 97, Issue 5
Capturing fingerprints of conical intersection: Complementary information of non-adiabatic dynamics from linear x-ray probes
journal, May 2021
- Jadoun, Deependra; Gudem, Mahesh; Kowalewski, Markus
- Structural Dynamics, Vol. 8, Issue 3
The ultraviolet photodissociation dynamics of pyrrole
journal, September 1994
- Blank, David A.; North, Simon W.; Lee, Yuan T.
- Chemical Physics, Vol. 187, Issue 1-2
Photoelectron Spectra and Ion Chemistry of Imidazolide †
journal, December 2005
- Gianola, Adam J.; Ichino, Takatoshi; Hoenigman, Rebecca L.
- The Journal of Physical Chemistry A, Vol. 109, Issue 50
Electronic Structure Analysis and Electron Detachment Energies of Polynitrogen Pentagonal Aromatic Anions
journal, October 2006
- Melin, Junia; Mishra, Manoj K.; Ortiz, J. V.
- The Journal of Physical Chemistry A, Vol. 110, Issue 44
The Role of * Excited States in the Photodissociation of Heteroaromatic Molecules
journal, June 2006
- Ashfold, M. N. R.
- Science, Vol. 312, Issue 5780
The Photophysics and Photochemistry of the Near-Uv Absorbing Amino Acids-I. Tryptophan and its Simple Derivatives
journal, April 1984
- Creed, David
- Photochemistry and Photobiology, Vol. 39, Issue 4
Probing the interaction between the encapsulated water molecule and the fullerene cages in H 2 O@C 60 − and H 2 O@C 59 N −
journal, January 2018
- Zhu, Guo-Zhu; Liu, Yuan; Hashikawa, Yoshifumi
- Chemical Science, Vol. 9, Issue 25
Observation of a -Type Dipole-Bound State in Molecular Anions
journal, August 2020
- Yuan, Dao-Fu; Liu, Yuan; Qian, Chen-Hui
- Physical Review Letters, Vol. 125, Issue 7
Electronic States and Luminescence of Nucleic Acid Systems
journal, October 1983
- Callis, P. R.
- Annual Review of Physical Chemistry, Vol. 34, Issue 1
Tautomeric Forms of Azolide Anions: Vertical Electron Detachment Energies and Dyson Orbitals
journal, November 2007
- Melin, Junia; Singh, Raman K.; Mishra, Manoj K.
- The Journal of Physical Chemistry A, Vol. 111, Issue 50
On the Behavior of Cross Sections Near Thresholds
journal, May 1948
- Wigner, Eugene P.
- Physical Review, Vol. 73, Issue 9
Photofragment velocity map imaging of H atom elimination in the first excited state of pyrrole
journal, December 2002
- Wei, J.; Kuczmann, A.; Riedel, J.
- Physical Chemistry Chemical Physics, Vol. 5, Issue 2
The Photoelectron Spectrum of Pyrrolide: Nonadiabatic Effects due to Conical Intersections
journal, October 2009
- Zhu, Xiaolei; Yarkony, David R.
- The Journal of Physical Chemistry C, Vol. 114, Issue 12
The design and construction of a high-resolution velocity-map imaging apparatus for photoelectron spectroscopy studies of size-selected clusters
journal, August 2014
- León, Iker; Yang, Zheng; Liu, Hong-Tao
- Review of Scientific Instruments, Vol. 85, Issue 8
A search for interstellar pyrrole - Evidence that rings are less abundant than chains
journal, October 1980
- Myers, P. C.; Thaddeus, P.; Linke, R. A.
- The Astrophysical Journal, Vol. 241
Deciphering Stability of Five-Membered Heterocyclic Radicals: Balancing Act Between Delocalization and Ring Strain
journal, May 2018
- Sah, Chitranjan; Yadav, Ajit Kumar; Venkataramani, Sugumar
- The Journal of Physical Chemistry A, Vol. 122, Issue 24
Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy
journal, September 2010
- Barbatti, Mario; Pittner, Jiří; Pederzoli, Marek
- Chemical Physics, Vol. 375, Issue 1
Photodetachment spectroscopy and resonant photoelectron imaging of the 2-naphthoxide anion via dipole-bound excited states
journal, June 2020
- Qian, Chen-Hui; Zhu, Guo-Zhu; Zhang, Yue-Rou
- The Journal of Chemical Physics, Vol. 152, Issue 21
Photodissociation dynamics in the first absorption band of pyrrole. I. Molecular Hamiltonian and the Herzberg-Teller absorption spectrum for the A21(πσ*)←X̃1 A1(ππ) transition
journal, March 2018
- Picconi, David; Grebenshchikov, Sergy Yu.
- The Journal of Chemical Physics, Vol. 148, Issue 10
Coupled Cluster Characterization of 1-, 2-, and 3-Pyrrolyl: Parameters for Vibrational and Rotational Spectroscopy
journal, January 2021
- Johansen, Sommer L.; Xu, Zhongxing; Westerfield, J. H.
- The Journal of Physical Chemistry A, Vol. 125, Issue 5
Search for interstellar pyrrole and furan
journal, December 1980
- Kutner, M. L.; Machnik, D. E.; Tucker, K. D.
- The Astrophysical Journal, Vol. 242
The identification of the outer valence shell π-photoelectron bands in furan, pyrrole and thiophene
journal, February 2001
- Holland, D. M. P.; Karlsson, L.; von Niessen, W.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 113, Issue 2-3
Slow Electron Velocity-Map Imaging of Negative Ions: Applications to Spectroscopy and Dynamics †
journal, December 2008
- Neumark, Daniel M.
- The Journal of Physical Chemistry A, Vol. 112, Issue 51
High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of pyrrole
journal, January 2004
- Cronin, Br�d; Nix, Michael G. D.; Qadiri, Rafay H.
- Physical Chemistry Chemical Physics, Vol. 6, Issue 21
Photodissociation and photoionization of pyrrole following the multiphoton excitation at 243 and 364.7 nm
journal, January 2005
- van den Brom, Alrik. J.; KapeliosDepartment of Chemistry, Un, Makis; Kitsopoulos, Theofanis N.
- Physical Chemistry Chemical Physics, Vol. 7, Issue 5
Pyrolysis of 3-Methoxypyridine. Detection and Characterization of the Pyrrolyl Radical by Threshold Photoelectron Spectroscopy
journal, January 2016
- Holzmeier, Fabian; Wagner, Isabella; Fischer, Ingo
- The Journal of Physical Chemistry A, Vol. 120, Issue 27
Photofragment slice imaging studies of pyrrole and the Xe⋯pyrrole cluster
journal, August 2007
- Rubio-Lago, L.; Zaouris, D.; Sakellariou, Y.
- The Journal of Chemical Physics, Vol. 127, Issue 6
Simulation of the photodetachment spectrum of the pyrrolide anion
journal, October 2006
- Motzke, Andreas; Lan, Zhenggang; Woywod, Clemens
- Chemical Physics, Vol. 329, Issue 1-3
Cross sections and photoelectron angular distributions in photodetachment from negative ions using equation-of-motion coupled-cluster Dyson orbitals
journal, September 2009
- Oana, C. Melania; Krylov, Anna I.
- The Journal of Chemical Physics, Vol. 131, Issue 12
Effect of Long-Range Final-State Forces on the Negative-Ion Photodetachment Cross Section near Threshold
journal, March 1965
- O'Malley, Thomas F.
- Physical Review, Vol. 137, Issue 6A
Thymine and Other Prebiotic Molecules Produced from the Ultraviolet Photo-Irradiation of Pyrimidine in Simple Astrophysical Ice Analogs
journal, October 2013
- Materese, Christopher K.; Nuevo, Michel; Bera, Partha P.
- Astrobiology, Vol. 13, Issue 10
Exploring the mechanisms of H atom loss in simple azoles: Ultraviolet photolysis of pyrazole and triazole
journal, February 2010
- King, Graeme A.; Oliver, Thomas A. A.; Nix, Michael G. D.
- The Journal of Chemical Physics, Vol. 132, Issue 6
High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of imidazole
journal, November 2006
- Devine, Adam L.; Cronin, Bríd; Nix, Michael G. D.
- The Journal of Chemical Physics, Vol. 125, Issue 18
Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion: Three-state interactions in the pyrazolyl-d3 radical
journal, August 2006
- Ichino, Takatoshi; Gianola, Adam J.; Lineberger, W. Carl
- The Journal of Chemical Physics, Vol. 125, Issue 8
The Nitrogen Heterocycle Content of Meteorites and Their Significance for the Origin of Life
journal, July 2018
- Martins, Zita
- Life, Vol. 8, Issue 3
High-Resolution Photoelectron Imaging of Cryogenically-Cooled C 59 N – and (C 59 N) 2 2– Azafullerene Anions
journal, December 2017
- Zhu, Guo-Zhu; Hashikawa, Yoshifumi; Liu, Yuan
- The Journal of Physical Chemistry Letters, Vol. 8, Issue 24
Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations
journal, January 2008
- Kumar, Anupriya; Kołaski, Maciej; Kim, Kwang S.
- The Journal of Chemical Physics, Vol. 128, Issue 3
Probing ultrafast dynamics in photoexcited pyrrole: timescales for 1πσ* mediated H-atom elimination
journal, January 2013
- Roberts, Gareth M.; Williams, Craig A.; Yu, Hui
- Faraday Discussions, Vol. 163
High resolution photodetachment spectroscopy of negative ions via slow photoelectron imaging
journal, October 2004
- Osterwalder, Andreas; Nee, Matthew J.; Zhou, Jia
- The Journal of Chemical Physics, Vol. 121, Issue 13
Angular distributions in the photoelectron spectroscopy of furan, thiophene, and pyrrole
journal, February 1979
- Sell, Jeffrey A.; Kuppermann, Aron
- Chemical Physics Letters, Vol. 61, Issue 2
Vibrational Spectroscopy of the Dehydrogenated Uracil Radical by Autodetachment of Dipole-Bound Excited States of Cold Anions
journal, January 2014
- Liu, Hong-Tao; Ning, Chuan-Gang; Huang, Dao-Ling
- Angewandte Chemie International Edition, Vol. 53, Issue 9
Nucleobases and Prebiotic Molecules in Organic Residues Produced from the Ultraviolet Photo-Irradiation of Pyrimidine in NH 3 and H 2 O+NH 3 Ices
journal, April 2012
- Nuevo, Michel; Milam, Stefanie N.; Sandford, Scott A.
- Astrobiology, Vol. 12, Issue 4
Potential hazards associated with combustion of bio-derived versus petroleum-derived diesel fuel
journal, August 2012
- Bünger, Jürgen; Krahl, Jürgen; Schröder, Olaf
- Critical Reviews in Toxicology, Vol. 42, Issue 9
Photodetachment of
journal, October 1958
- Burch, D. S.; Smith, S. J.; Branscomb, L. M.
- Physical Review, Vol. 112, Issue 1
Cation, Anion, and Radical Isomers of C 4 H 4 N: Computational Characterization and Implications for Astrophysical and Planetary Environments
journal, February 2020
- Hendrix, Josie; Bera, Partha P.; Lee, Timothy J.
- The Journal of Physical Chemistry A, Vol. 124, Issue 10
Polarization of Valence Orbitals by the Intramolecular Electric Field from a Diffuse Dipole-Bound Electron
journal, September 2020
- Yuan, Dao-Fu; Liu, Yuan; Qian, Chen-Hui
- The Journal of Physical Chemistry Letters, Vol. 11, Issue 18
Theory of Threshold Energy Dependence of Photodetachment of Diatomic Molecular Negative Ions
journal, October 1958
- Geltman, Sydney
- Physical Review, Vol. 112, Issue 1
Electron Transfer Induced Decomposition in Potassium–Nitroimidazoles Collisions: An Experimental and Theoretical Work
journal, December 2019
- Mendes, Mónica; García, Gustavo; Bacchus-Montabonel, Marie-Christine
- International Journal of Molecular Sciences, Vol. 20, Issue 24
Light-Induced Oxidation of Tryptophan and Histidine. Reactivity of Aromatic N -Heterocycles toward Triplet-Excited Flavins
journal, June 2009
- Huvaere, Kevin; Skibsted, Leif H.
- Journal of the American Chemical Society, Vol. 131, Issue 23
Femtosecond Time-Resolved Hydrogen-Atom Elimination from Photoexcited Pyrrole Molecules
journal, September 2004
- Lippert, H.; Ritze, H. -H.; Hertel, I. V.
- ChemPhysChem, Vol. 5, Issue 9
Ultrafast Excited-State Dynamics in Nucleic Acids
journal, April 2004
- Crespo-Hernández, Carlos E.; Cohen, Boiko; Hare, Patrick M.
- Chemical Reviews, Vol. 104, Issue 4
Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole
journal, January 2017
- Grebenshchikov, Sergy Yu.; Picconi, David
- Physical Chemistry Chemical Physics, Vol. 19, Issue 23
Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate
journal, March 2021
- Qian, Chen-Hui; Zhang, Yue-Rou; Yuan, Dao-Fu
- The Journal of Chemical Physics, Vol. 154, Issue 9
Products of incomplete combustion from biomass reburning
journal, August 2020
- Oluwoye, Ibukun; Altarawneh, Mohammednoor; Gore, Jeff
- Fuel, Vol. 274
High-resolution photoelectron imaging of cold C60− anions and accurate determination of the electron affinity of C 60
journal, June 2014
- Huang, Dao-Ling; Dau, Phuong Diem; Liu, Hong-Tao
- The Journal of Chemical Physics, Vol. 140, Issue 22
Thermochemistry and Electronic Structure of the Pyrrolyl Radical
journal, October 2004
- Gianola, Adam J.; Ichino, Takatoshi; Hoenigman, Rebecca L.
- The Journal of Physical Chemistry A, Vol. 108, Issue 46
Photochemistry and Astrochemistry: Photochemical Pathways to Interstellar Complex Organic Molecules
journal, April 2016
- Öberg, Karin I.
- Chemical Reviews, Vol. 116, Issue 17
Stripping off hydrogens in imidazole triggered by the attachment of a single electron
journal, January 2017
- Ribar, A.; Fink, K.; Li, Z.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 9
Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method
journal, January 2013
- Saita, Kenichiro; Nix, Michael G. D.; Shalashilin, Dmitrii V.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 38
Observation of Mode-Specific Vibrational Autodetachment from Dipole-Bound States of Cold Anions
journal, July 2013
- Liu, Hong-Tao; Ning, Chuan-Gang; Huang, Dao-Ling
- Angewandte Chemie International Edition, Vol. 52, Issue 34
Relative Contributions of Volatile Nitrogen and Char Nitrogen to NO x Emissions from Pulverized Coal Flames
journal, January 1979
- Pershing, D. W.; Wendt, J. O. L.
- Industrial & Engineering Chemistry Process Design and Development, Vol. 18, Issue 1
Electron impact investigation of electronic excitations in furan, thiophene, and pyrrole
journal, February 1976
- Flicker, Wayne M.; Mosher, Oren A.; Kuppermann, Aron
- The Journal of Chemical Physics, Vol. 64, Issue 4
Quantum Chemical Study of the Structure and Thermochemistry of the Five-Membered Nitrogen-Containing Heterocycles and Their Anions and Radicals
journal, December 2006
- da Silva, Gabriel; Moore, Eric E.; Bozzelli, Joseph W.
- The Journal of Physical Chemistry A, Vol. 110, Issue 51
Electron-induced chemistry in imidazole clusters embedded in helium nanodroplets
journal, February 2018
- Kuhn, Martin; Raggl, Stefan; Martini, Paul
- The European Physical Journal D, Vol. 72, Issue 2
High resolution photoelectron imaging of Au 2 −
journal, May 2013
- León, Iker; Yang, Zheng; Wang, Lai-Sheng
- The Journal of Chemical Physics, Vol. 138, Issue 18
Femtosecond Multiphoton Ionization of Pyrrole
journal, December 2011
- Liu, Benkang; Wang, Yanqiu; Wang, Li
- The Journal of Physical Chemistry A, Vol. 116, Issue 1
Initial state-specific photodissociation dynamics of pyrrole via 1 π σ ∗/S 0 conical intersection initiated with optimally controlled UV-laser pulses
journal, September 2017
- Nandipati, K. R.; Kanakati, Arun Kumar; Singh, H.
- The European Physical Journal D, Vol. 71, Issue 9
2018 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules
journal, November 2018
- McGuire, Brett A.
- The Astrophysical Journal Supplement Series, Vol. 239, Issue 2
N - AND O -HETEROCYCLES PRODUCED FROM THE IRRADIATION OF BENZENE AND NAPHTHALENE IN H 2 O/NH 3 -CONTAINING ICES
journal, February 2015
- Materese, Christopher K.; Nuevo, Michel; Sandford, Scott A.
- The Astrophysical Journal, Vol. 800, Issue 2
Femtosecond evolution of the pyrrole molecule excited in the near part of its UV spectrum
journal, August 2012
- Montero, Raúl; Peralta Conde, Álvaro; Ovejas, Virginia
- The Journal of Chemical Physics, Vol. 137, Issue 6
Probing the Dipole-Bound State in the 9-Phenanthrolate Anion by Photodetachment Spectroscopy, Resonant Two-Photon Photoelectron Imaging, and Resonant Photoelectron Spectroscopy
journal, April 2021
- Yuan, Dao-Fu; Zhang, Yue-Rou; Qian, Chen-Hui
- The Journal of Physical Chemistry A, Vol. 125, Issue 14
On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine
journal, September 2002
- Sobolewski, A. L.; Domcke, W.
- The European Physical Journal D, Vol. 20, Issue 3
Communication: Vibrational spectroscopy of Au 4 from high resolution photoelectron imaging
journal, July 2013
- Yang, Zheng; Leon, Iker; Wang, Lai-Sheng
- The Journal of Chemical Physics, Vol. 139, Issue 2
High-resolution photoelectron imaging and resonant photoelectron spectroscopy via noncovalently bound excited states of cryogenically cooled anions
journal, January 2019
- Zhu, Guo-Zhu; Wang, Lai-Sheng
- Chemical Science, Vol. 10, Issue 41
Observation of a dipole-bound excited state in 4-ethynylphenoxide and comparison with the quadrupole-bound excited state in the isoelectronic 4-cyanophenoxide
journal, September 2021
- Zhang, Yue-Rou; Yuan, Dao-Fu; Qian, Chen-Hui
- The Journal of Chemical Physics, Vol. 155, Issue 12
Probing the Critical Dipole Moment To Support Excited Dipole-Bound States in Valence-Bound Anions
journal, October 2019
- Qian, Chen-Hui; Zhu, Guo-Zhu; Wang, Lai-Sheng
- The Journal of Physical Chemistry Letters, Vol. 10, Issue 21