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Fundamental and Computational Sciences Directorate

Staff information

Xue-Bin Wang

Chemical Physics & Analysis
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-88
Richland, WA 99352

PNNL Publications






  • Fu Q, J Yang, and XB Wang. 2011. "On the Electronic Structures and Electron Affinities of the m- Benzoquinone (BQ) Diradical and the o-, p- BQ Molecules: A Synergetic Photoelectron Spectroscopic and Theoretical Study." Journal of Physical Chemistry A 115(15):3201-3207.  doi:10.1021/jp1120542


  • Wang XB, C Chi, M Zhou, IV Kuvychko, K Seppelt, AA Popov, SH Strauss, OV boltalina, and LS Wang. 2010. "Photoelectron Spectroscopy of C60Fn- and C60Fm2- (n=17,33,35,43,45,47;m=34,46) in the Gas Phase and the Generation and Characterization of C1-C60F47- and D2-C60F44 in Solution." Journal of Physical Chemistry A 114(4):1756-1765. 
  • Wang XB, Q Fu, and J Yang. 2010. "Electron Affinities and Electronic Structures of o-, m-, and p- Hydroxyphenoxyl Radicals: A Combined Low-Temperature Photoelectron Spectroscopic and Ab initio Calculation Study." Journal of Physical Chemistry A 114(34):9083-9089. 
  • Xing X, XB Wang, and LS Wang. 2010. "Photoelectron Imaging of Doubly Charged Anions, -O2C(CH2)nCO2- (n=2-8): Observation of Near 0 eV Electrons Due to Secondary Dissociative Autodetachment." Journal of Physical Chemistry A 114(13):4524-4530 .  doi:10.1021/jp1011523


  • Wang XB, and LS Wang. 2009. "Photoelectron Spectroscopy of Multiply Charged Anions." In Annual Review of Physical Chemistry, vol. 60, pp. 105-126.  Annual Reviews, Inc., Palo Alto, CA. 
  • Wang XB, AP Sergeeva, J Yang, X Xing, AI Boldyrev, and LS Wang. 2009. "Photoelectron Spectroscopy of Cold Hydrated Sulfate Clusters, SO42-(H2O)N ((N = 4-7): Temperature-Dependent Isomer Populations." Journal of Physical Chemistry A 113(19):5567-5576. 
  • Wang XB, AP Sergeeva, X Xing, M massaouti, karpuschkin, O Hampe, AI Boldyrev, MM Kappes, and LS Wang. 2009. "Probing the electronic stablility of multiply charged anions:sulfonated pyrene tri- and tetraanions." Journal of the American Chemical Society 131(28):9836-9842. 
  • Wang XB, B Jagoda-Cwiklik, C Chi, X Xing, M Zhou, P Jungwirth, and LS Wang. 2009. "Microsolvation of the acetate anion [CH3CO-2(H2O)n,n=1-3]: A photoelectron spectroscopy and ab initio computational sutdy." Chemical Physics Letters 477(1-3):41-44. 
  • Wang XB, YL wang, J Yang, X Xing, J Li, and LS Wang. 2009. "Evidence of Significant Covalent Bonding in Au(CN)2-." Journal of the American Chemical Society 131(45):16368-16370. 
  • Meyer MM, XB Wang, CA Reed, LS Wang, and SR Kass. 2009. "Investigating the Weak to Evaluate the Strong: An Experimental Determination of the Electron Binding Energy of Carborane Anions and the Gas phase Acidity of Carborane Acids." Journal of the American Chemical Society 131(50):18050-18051.  doi:10.1021/ja908964h
  • Xing X, XB Wang, and LS Wang. 2009. "Photoelectron Angular Distribution and Molecular Structure in Multiply Charged Anions." Journal of Physical Chemistry A 113(6):945-948. 
  • Xing X, XB Wang, and LS Wang. 2009. "Photoelectron imaging of multiply charged anions:Effects of intramolecular Coulomb repulsion and photoelectron kinetic energies on photoelectron angular distributions." Journal of Chemical Physics 130(7):Article no. 074301. 


  • Wang XB, and LS Wang. 2008. "Development of a Low-Temperature Photoelectron Spectroscopy Instrument Using an Electrospray Ion Source and a Cryogenically Controlled Ion Trap." Review of Scientific Instruments 79(7):Art. No. 073108.  doi:10.1063/1.2957610
  • Wang XB, HJ Zhai, X Huang, and LS Wang. 2008. "On The Electronic Structure and Chemical Bonding in the Tantalum Trimer Cluster." Journal of Physical Chemistry A 112(43):10962-10967.  doi:10.1021/jp806166h
  • Wang XB, X Xing, and LS Wang. 2008. "Observation of H-2 Aggregation onto a Doubly Charged Anion in a Temperature-Controlled Ion Trap." Journal of Physical Chemistry A 112(51):13271-13274. 
  • Xing X, XB Wang, and LS Wang. 2008. "Imaging Intramolecular Coulomb Repulsions in Multiply Charged Anions." Physical Review Letters 101(8):Art. no. 083003.  doi:10.1103/PhysRevLett.101.083003
  • Yang J, XB Wang, X Xing, and LS Wang. 2008. "Photoelectron Spectroscopy of Anions at 118.2 nm: Observation of High Electron Binding Energies in Superhalogens MCI4- (M=Sc, Y, La)." Journal of Chemical Physics 128(20):Art. No. 201102.  doi:10.1063/1.2938390
  • Yang J, X Xing, XB Wang, LS Wang, AP Sergeeva, and AI Boldyrev. 2008. "Negative Electron Binding Energies Observed in a Triply Charged Anion: Photoelectron Spectroscopy of 1-Hydroxy-3, 6, 8-Pyrene-Trisulfonate ." Journal of Chemical Physics 128(9):Art. No. 091102.  doi:10.1063/1.2889001


  • Wang XB, H Woo, J Yang, MM Kappes, and LS Wang. 2007. "Photoelectron Spectroscopy of Singly and Doubly Charged Higher Fullerenes at Low Temperatures: C76-, C78-, C84- and C76(2-), C78(2-), C84(2-) ." Journal of Physical Chemistry C 111(48):17684-17689. 






  • Wang XB, X Yang, JB Nicholas, and LS Wang. 2001. "Bulk-Like Features in the Photoemission Spectra of Hydrated Doubly Charged Anion Clusters." Science 294(5545):1322-1325. 


  • Wang XB, and LS Wang. 2000. "Probing the Electronic Structure of Redox Species and Direct Determination of Intrinsic Reorganization Energies of Electron Transfer Reactions." Journal of Chemical Physics 112(16):6959-6962. 
  • Wang XB, JB Nicholas, and LS Wang. 2000. "Intramolecular Coulomb Repulsion and Anisotropies of the Repulsive Coulomb Barrier in Multiply Charged Anions." Journal of Chemical Physics 113(2):653-661. 
  • Wang XB, and LS Wang. 2000. "Photodetachment of Multiply Charged Anions: The Electronic Structure of Gaseous Square-Planar Trasnition Metal Complexes PtX42- (X=Cl, Br)." Journal of the American Chemical Society 122(10): 2339-2345. 
  • Wang XB, and LS Wang. 2000. "The Electronic Structure and Electron Affinities of Higher Chlorine Oxide Radicals ClOx (x = 2-4) from Photoelectron Spectroscopy of ClOx- Anions ." Journal of Chemical Physics 113(24):10928-10933. 
  • Skurski P, J Simons, XB Wang, and LS Wang. 2000. "Experimental and Theoretical Investigations of the Stability of Two Small Gaseous Dicarboxylate Dianions: Acetylene Dicarboxylate and Succinate." Journal of the American Chemical Society 122(18):4499-4507. 
  • Wang LS, and XB Wang. 2000. "Probing Free Multiply Charged Anions Using Photodetachment Photoelectron Spectroscopy." Journal of Physical Chemistry A 104(10):1978-1990. 
  • Wang LS, and XB Wang. 2000. "Probing the Electronic Structure and Metal-Metal Bond of Re2Cl82- in the Gas Phase." Journal of the American Chemical Society 122(9):2096-2100. 
  • Wang LS, and XB Wang. 2000. "Experimental Observation of a Very High Second Electron Affinity for ZrF6 from Photodetachment of Gaseous ZrF62- Doubly Charged Anions ." Journal of Physical Chemistry A 104(19):4429-4432. 


  • Wang XB, and LS Wang. 1999. "Observation of Negative Electron-Binding Energy in a Molecule." Nature 400(6741):245-248. 
  • Wang XB, and LS Wang. 1999. "Photodetachment of Free Hexahalogenometallate Doubly Charged Anions in the Gas Phase: [ML6]2-, (M = Re, Os, Ir, PT; L= Cl and Br)." Journal of Chemical Physics 111(10):4497-4509. 
  • Wang XB, and LS Wang. 1999. "Vibrationally Resolved Photoelectron Spectroscopy of PO3- and the Electronic Structure of PO3." Chemical Physics Letters 313(1-2):179-183. 
  • Wang XB, CF Ding, JB Nicholas, DA Dixon, and LS Wang. 1999. "Investigation of Free Singly and Doubly Charged Alkali Metal-Sulfate Ion Pairs: M+ (SO42-) and [M+(SO42-)2 (M = Na, K)]." Journal of Physical Chemistry A 103(18):3423-3429. 
  • Wang XB, CF Ding, and LS Wang. 1999. "Electron Tunneling through the Repulsive Coulomb Barrier in Photodetachment of Multiply Charged Anions." Chemical Physics Letters 307(5-6):391-396. 
  • Wang XB, CF Ding, and LS Wang. 1999. "High Resolution Photoelectron Spectroscopy of C60(-). Inelastic Loss and Thermionic Emission." Journal of Chemical Physics 110(17):8217-8220. 
  • Ding CF, XB Wang, and LS Wang. 1999. "Photodetachment Photoelectron Spectroscopy of Doubly Charged Anions: S2O82-." Journal of Chemical Physics 110(8):3635-3638. 
  • Nicholas JB, LS Wang, and XB Wang. 1999. "Photoelectron Spectroscopy and Theoretical Calculations of S04 and HS04: Confirmation of High Electron Affinities of S04 and HS04." Journal of Physical Chemistry A 104(3):504-508. 
  • Rao BK, P Jena, XB Wang, and LS Wang. 1999. "Origin of the unusual stability of MnO4-." Chemical Physics Letters 312(5-6):598-605. 
  • Wang LS, and XB Wang. 1999. "Experimental Search for the Smallest Stable Multiply Charged Anions in the Gas Phase." Physical Review Letters 83(17):3402-3405. 
  • Wang LS, CF Ding, XB Wang, and SE Barlow. 1999. "Photodetachment Photoelectron Spectroscopy of Multiply Charged Anions Using Electrospray Ionization." Review of Scientific Instruments 70(4):1957-1966. 


  • Wang XB, CF Ding, and LS Wang. 1998. "Photodetachment Spectroscopy of A Doubly Charged Anion: Direct Observation of the Repulsive Coulomb Barrier." Physical Review Letters 81(16):3351-3354 . 
  • Ding CF, XB Wang, and LS Wang. 1998. "Photoelectron Spectroscopy of Double Charged Anions: Intramolecular Coulomb Repulsion and Solvent Stabilization." Journal of Physical Chemistry A 102(45):8633-8636. 
  • Ding CF, XB Wang, JB Nicholas, and LS Wang. 1998. "Probing the Potential Barriers and Intramolecular Electrostatic Interactions in Freely Doubly Charged Anions." Physical Review Letters 81(13):2667-2670. 

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