About

Lai-Sheng Wang is the Jesse H. and Louisa D. Sharpe Metcalf Professor of Chemistry at Brown University. His research focuses on experimental physical chemistry, particularly the study of nanoclusters and nanomaterials, using techniques such as photoelectron spectroscopy and photoelectron imaging. His laboratory creates and investigates new forms of matter called nanoclusters, which are aggregates of atoms that can be formed from various metals and nonmetals in pure or mixed forms. These clusters are studied for their size-dependent structural and electronic properties, which form the foundation of nanoscience. Wang's work includes exploring boron and transition metal clusters, as well as clusters of actinide-containing species, with an emphasis on synthesizing cluster-based nanostructures and nanomaterials. His research also probes solution chemistry in the gas phase, involving electrospray ionization and cryogenic ion traps to study anions from solutions, including multiply-charged and solvated anions, as well as those with diffused electronic excited states. His work extends to inorganic metal complexes, redox species, biologically relevant molecules, and the solvation and stabilization of complex anions. Wang has made significant contributions to understanding the structures, bonding, and electronic properties of various clusters and molecules, advancing the field of nanoscience and molecular spectroscopy.

Research topics

• Chemistry
• Organic chemistry
• Astrobiology
• Combinatorial chemistry
• Computational chemistry
• Inorganic chemistry
• Photochemistry
• Crystallography
• Materials science
• Physics
• Nuclear magnetic resonance
• Atomic physics
• Nanotechnology
• Nuclear physics
• Physical chemistry

Selected publications

• Tabular Data and Computational Details for BiC Spectroscopic Analysis

  Zenodo (CERN European Organization for Nuclear Research) · 2026-05-17

  datasetOpen accessSenior author
  PublisherDOI

• Spectral Signatures of Neutral Boron Oxide Clusters Containing Key Structural Units of the Vitreous State

  Journal of the American Chemical Society · 2026-04-28

  articleCorresponding

  Spectroscopic characterization of neutral boron oxide clusters is insightful for understanding the structures and properties of the bulk but has proven to be extremely challenging due to the difficulty in size selection. Here, we report a size-specific infrared spectroscopy study of a series of neutral boron oxide clusters using near-threshold photoionization with a tunable vacuum ultraviolet free electron laser. Quantum chemical calculations were carried out to understand the structures and bonding of the clusters and to help assign the experimental spectral features. The BO3, B2O4, and B3O6 clusters focused in this study are found to have planar structures with BO, BO3, and B2O5 groups, which are key structural units in the two-dimensional network of the vitreous state. Chemical bonding analyses revealed structural stability arising from the synergy among the terminal B≡O groups and B–O σ bonds. This work provides spectral signatures for the key structural units of the bulk and paves the way for systematic studies on the stepwise formation and growth mechanisms of boron oxide materials.

  PublisherDOI

• Tabular Data and Computational Details for BiC Spectroscopic Analysis

  Zenodo (CERN European Organization for Nuclear Research) · 2026-05-17

  datasetOpen accessSenior author
  PublisherDOI

• Structural Evolution of Boron Clusters upon Copper Doping in CuB_<i>x</i>^– (<i>x</i> = 4–6)

  The Journal of Physical Chemistry A · 2025-06-27 · 1 citations

  articleCorresponding

  Photoelectron spectroscopy and theoretical calculations are combined to elucidate the structures and chemical bonding of small boron clusters doped with a copper atom, CuBx– (x = 4–6). Relatively complex spectral features are observed and are interpreted by comparison with the theoretical results. Predicted global minimum structures of CuBx– (x = 4–6) evince that the Cu atom binds to an apex B atom in each cluster and does not significantly alter the planar boron framework of the corresponding Bx– clusters. Multielectronic transitions (shakeup processes) are observed in all three systems, a manifestation of strong electron correlation effects. Chemical bonding analyses show that the copper atom preferentially binds to the apex sites with the highest electron localization to form a Cu–B covalent bond. The structures and bonding of CuBx– (x = 4–6) are compared with those of the bare Bx– and the Cu2Bx– clusters, providing new insights into the structural and electronic evolution of Cu-doped boron clusters and the transition from Cu–B covalent bonding to ionic bonding.

  PublisherDOI

• Observation of Structural Isomers and Isomerization of an Atom-Precise Gold Hydride Nanocluster Using Ion Mobility Spectrometry

  The Journal of Physical Chemistry Letters · 2025-05-12 · 4 citations

  articleSenior authorCorresponding

  Ion mobility spectrometry (IMS) is a powerful technique to determine structures and isomers of gas phase clusters and complex molecules. It is also a valuable tool to investigate ligand-protected atom-precise nanoclusters that cannot be readily crystallized and examined by X-ray diffraction. Here we use IMS to study a diphosphine-protected gold hydride nanocluster, [Au22H3(dppee)7]3+ (dppee = bis(2-diphenylphosphino)ethyl ether), which was synthesized previously and hypothesized to contain two Au11 units with different bridging ligands. Surprisingly, our IMS data revealed the coexistence of two structural isomers in the as-synthesized product with a population of ∼85% for the main isomer and ∼15% for the minor isomer. The two isomers are found to be interconvertible at high activation voltages. Comparison between the IMS data and theoretical calculations confirm that the main and minor isomers consist of one and three bridging ligands, respectively. The isomers and isomerization process uncovered in this work provide opportunities to study the structure–property relationship of atomically precise metal nanoclusters.

  PublisherDOI

• Observation of the Smallest Three‐Dimensional Neutral Boron Cluster

  Angewandte Chemie International Edition · 2025-01-14 · 14 citations

  articleOpen accessSenior author

  Abstract Despite major progress in the investigation of boron cluster anions, direct experimental study of neutral boron clusters remains a significant challenge because of the difficulty in size selection. Here we report a size‐specific study of the neutral B 9 cluster using threshold photoionization with a tunable vacuum ultraviolet free electron laser. The ionization potential of B 9 is measured to be 8.45±0.02 eV and it is found to have a heptagonal bipyramid D 7h structure, quite different from the planar molecular wheel of the B 9 ‐ anionic cluster. Chemical bonding analyses reveal superior stability of the bipyramidal structure arising from delocalized σ and π bonding interactions within the B 7 ring and between the B 7 ring and the capping atoms. Photoionization of B 9 breaks the single‐electron B‐B bond of the capping atoms, which undergo off‐axis distortion to enhance interactions with the B 7 ring in the singlet ground state of B 9 + . The single‐electron B‐B bond of the capping atoms appears to be crucial in stabilizing the D 7h structure of B 9 . This work opens avenues for direct size‐dependent experimental studies of a large variety of neutral boron clusters to explore the stepwise development of network structures.

  PublisherOA PDFDOI

• Facile synthesis of the dodecahydridododecaborate (B12H122−) from borane Lewis base adducts

  Science China Chemistry · 2025-01-02 · 7 citations

  articleCorresponding
  PublisherDOI

• Probing the electronic structure and dipole-bound state of the 7-azaindolide anion

  Physical Chemistry Chemical Physics · 2025-01-01

  articleOpen accessSenior author

  High-resolution non-resonant and resonant photoelectron and photodetachment spectroscopies are used to characterize the 7-azaindolide anion cryogenically-cooled in an ion trap.

  PublisherOA PDFDOI

• Photoelectron and photodetachment spectroscopy of cryogenically cooled 2-anthrolate anion

  The Journal of Chemical Physics · 2025-05-15 · 2 citations

  articleSenior author

  Polycyclic aromatic hydrocarbon (PAH) molecules and radicals play important roles in astrochemistry and atmospheric chemistry. These species exhibit complicated electronic structures and photophysics, making them challenging to study both experimentally and computationally. Here, we report an investigation of the cryogenically cooled 2-anthrolate anion (2-AT-) using photoelectron imaging and photodetachment spectroscopy. High-resolution photoelectron spectroscopy (PES) yields an electron affinity of 2.440(1) eV for the 2-AT radical while also resolving several vibrational frequencies for its ground electronic state and complex autodetachment features. Photodetachment spectroscopy further identifies both bound and unbound valence-excited states of the 2-AT- anion with rich vibronic features. Single-color resonant two-photon PES via these bound excited states reveals different photophysical processes, including resonant two-photon detachment via S1 and autodetaching resonances above the detachment threshold. The current work uncovers the second PAH anion with bound electronic excited states and provides valuable experimental information about the electronic structure and photophysics of the 2-AT- anion and the 2-AT radical.

  PublisherDOI

• Photoelectron Imaging and Photodetachment Spectroscopy for the Cryogenically Cooled Cyanocyclopentadienide Anion

  The Journal of Physical Chemistry A · 2025-01-17 · 2 citations

  articleSenior authorCorresponding

  The cyano-cyclopentadiene molecule (CN-C5H5) has attracted significant interest since its detection in the interstellar medium, but the radical (CN-C5H4) and anionic (CN-C5H4–) forms of cyano-cyclopentadiene have not been studied. The cyano-cyclopentadienyl radical (CN-Cp) has a strong dipole moment, rendering it an ideal system for vibrational and rotational spectroscopy. We report an investigation of the cryogenically cooled cyano-cyclopentadienide anion (CN-Cp–) using high-resolution photoelectron imaging, photodetachment spectroscopy, and resonant photoelectron imaging. The electron affinity of the CN-Cp radical is measured accurately to be 2.7741 ± 0.0003 eV (22,375 ± 2 cm–1). A low-lying excited state is observed for the CN-Cp neutral radical at 151 cm–1 above the ground state. The overlap and vibronic coupling of the ground and low-lying electronic states give rise to complicated and congested photoelectron spectra. A dipole-bound state is observed for the CN-Cp– anion with a binding energy of 94 cm–1, along with 15 vibrational Feshbach resonances. Resonant photoelectron spectra via the vibrational resonances yield well-resolved spectra, allowing 26 vibronic levels to be identified for CN-Cp. The rich spectroscopic information will be valuable to compare with theoretical studies to unravel the vibronic coupling and nonadiabatic effects in the CN-Cp radical.

  PublisherDOI

Recent grants

• Investigation of Boron and Boride Nanoclusters: Laying the Foundation for New Boron Nanostructures

  NSF · $1.0M · 2013–2018

• Investigation of Boron and Boride Nanoclusters: Laying the Foundation for New Boron Nanostructures and Nanomaterials

  NSF · $600k · 2018–2021

• Probing the Electronic and Atomic Structures of Metal Clusters and Solution-Phase Species in the Gas Phase

  NSF · $335k · 2008–2010

• From Gas Phase Clusters to Nanomaterials

  NSF · $375k · 2005–2009

• Nanoclusters of Boron and Borides

  NSF · $766k · 2009–2013

Frequent coauthors

• Xue‐Bin Wang

  Pacific Northwest National Laboratory

  1053 shared

• Hua‐Jin Zhai

  900 shared

• Alexander I. Boldyrev

  Utah State University

  534 shared

• Jun Li

  484 shared

• Xin Yang

  West China Hospital of Sichuan University

  403 shared

• Wei‐Li Li

  Jiangsu University of Science and Technology

  256 shared

• Xi Li

  Xidian University

  241 shared

• Xin Huang

  Anhui University

  232 shared

Labs

• Lai-Sheng Wang GroupPI

Education

• Ph.D. in Chemical Physics, Chemistry

  University of California Berkeley

  1990

• BS in Chemistry, Chemistry

  Wuhan University

  1982

Awards & honors

• Earle K.. Plyler Prize for Molecular Spectroscopy Dynamics,…
• Fellow, American Association for the Advancement of Science…
• Humboldt Senior Research Award (2006)
• John Simon Guggenheim Fellowship (2005)
• Fellow, American Physical Society (2003)