skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Mass-selected ion–molecule cluster beam apparatus for ultrafast photofragmentation studies

Journal Article · · Review of Scientific Instruments
DOI:https://doi.org/10.1063/5.0148194· OSTI ID:2229256

We describe an apparatus for investigating the excited-state dissociation dynamics of mass-selected ion–molecule clusters by mass-resolving and detecting photofragment-ions and neutrals, in coincidence, using an ultrafast laser operating at high repetition rates. The apparatus comprises a source that generates ion–molecule clusters, a time-of-flight spectrometer, and a mass filter that selects the desired anions, and a linear-plus-quadratic reflectron mass spectrometer that discriminates the fragment anions after the femtosecond laser excites the clusters. The fragment neutrals and anions are then captured by two channeltron detectors. The apparatus performance is tested by measuring the photofragments: I, CF3I, and neutrals from photoexcitation of the ion–molecule cluster CF3I·I using femtosecond UV laser pulses with a wavelength of 266 nm. Here, the experimental results are compared with our ground state and excited state electronic structure calculations as well as the existing results and calculations, with particular attention to the generation mechanism of the anion fragments and dissociation channels of the ion–molecule cluster CF3I·I in the charge-transfer excited state.

Research Organization:
University of Nebraska-Lincoln, NE (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)
Contributing Organization:
Lawrence Berkeley National Laboratory
Grant/Contract Number:
SC0019482; AC02-05CH11231
OSTI ID:
2229256
Alternate ID(s):
OSTI ID: 2229285
Journal Information:
Review of Scientific Instruments, Vol. 94, Issue 9; ISSN 0034-6748
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (47)

Ionic clusters journal June 1986
Observation of charge-transfer excited states in the I−⋅CH3I, I−⋅CH3Br, and I−⋅CH2Br2SN2 reaction intermediates using photofragmentation and photoelectron spectroscopies journal October 1992
Photoelectron spectroscopy of the gas-phase S N2 reaction intermediates I−⋅CH3I and I−⋅CD3I: Distortion of the CH3I at the ‘‘ion–dipole’’ complex journal September 1993
The charge transfer excited state of the I−⋅CH3I SN2 reaction intermediate: Photoinduced intracluster dissociative attachment journal December 1994
Dipole‐bound excited states of the I ⋅CH 3 CN and I ⋅(CH 3 CN) 2 ion–molecule complexes: Evidence for asymmetric solvation journal August 1995
Observation of the dipole‐bound excited state of the I ⋅acetone ion‐molecule complex journal April 1995
Photoelectron anisotropy and channel branching ratios in the detachment of solvated iodide cluster anions journal January 2005
On the vibrational fine structure in the near-threshold photofragmentation spectrum of the I−⋅CH3I complex: Spectroscopic observation of nonadiabatic effects in electron-molecule scattering journal December 1996
Recombination of Br−2 photodissociated within mass selected ionic clusters journal May 1988
Photodissociation and Geminate Recombination Dynamics of I2- In Mass-Selected I2-(CO2)n Cluster Ions journal October 1991
I−2 photodissociation and recombination dynamics in size-selected I−2(CO2)n cluster ions journal December 1993
Demonstration of a pulsed photoelectron spectrometer on mass-selected negative ions: O−, O2−, and O4− journal November 1986
Time‐of‐Flight Mass Spectrometer with Improved Resolution journal December 1955
Velocity map imaging of ions and electrons using electrostatic lenses: Application in photoelectron and photofragment ion imaging of molecular oxygen journal September 1997
Electron Solvation in Finite Systems: Femtosecond Dynamics of Iodide·(Water)n Anion Clusters journal April 1999
Observation of Large Water-Cluster Anions with Surface-Bound Excess Electrons journal January 2005
Ultrafast dynamics of low-energy electron attachment via a non-valence correlation-bound state journal January 2018
Femtosecond Time-Resolved Photoelectron Spectroscopy journal April 2004
Development of a linear-type double reflectron for focused imaging of photofragment ions from mass-selected complex ions journal May 2017
Tandem time-of-flight mass spectrometer for photodissociation of biopolymer ions generated by matrix-assisted laser desorption ionization (MALDI-TOF-PD-TOF) using a linear-plus-quadratic potential reflectron journal August 2004
Characterization of a gold coated cantilever surface for biosensing applications journal January 2015
Rectilinear Electron Flow in Beams journal August 1940
Fundamental aspects of electron impact ionization journal December 1982
Absolute calibration of a multichannel plate detector for low energy O, O−, and O+ journal March 2000
Absolute beam monitor: A novel laboratory device for neutral beam calibration journal September 2022
Recent developments in the general atomic and molecular electronic structure system journal April 2020
Møller-Plesset theory for atomic ground state energies: MØLLER-PLESSET THEORY FOR ATOMIC GROUND STATE ENERGIES journal March 1975
A new parallel algorithm of MP2 energy calculations journal January 2006
New parallel algorithm for MP2 energy gradient calculations journal January 2007
Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface journal January 2006
Gradient of the ZAPT2 energy
  • Fletcher, Graham D.; Gordon, Mark S.; Bell, Robert S.
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 107, Issue 2 https://doi.org/10.1007/s00214-001-0304-z
journal February 2002
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches journal December 2002
Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches journal November 2009
New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states journal January 2004
Contracted Gaussian‐type basis functions revisited journal June 1996
Contracted Gaussian-type basis functions revisited II. Atoms Na through Ar
  • Tatewaki, Hiroshi; Koga, Toshikatsu; Takashima, Hiroyuki
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 96, Issue 4 https://doi.org/10.1007/s002140050226
journal September 1997
Contracted Gaussian-type basis functions revisited. III. Atoms K through Kr
  • Koga, Toshikatsu; Tatewaki, Hiroshi; Matsuyama, Hisashi
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 102, Issue 1-6 https://doi.org/10.1007/s002140050479
journal June 1999
Contracted Gaussian-type basis functions revisited. IV. Atoms Rb to Xe
  • Koga, Toshikatsu; Yamamoto, Shigeyoshi; Shimazaki, Tsuyoshi
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 108, Issue 1 https://doi.org/10.1007/s00214-002-0354-x
journal July 2002
Pulsed photodetachment microscopy and the electron affinity of iodine journal May 2009
Photoelectron spectroscopic study of I ·ICF 3 : a frontside attack S N 2 pre-reaction complex journal January 2019
Study of the stabilization energies of halide-water clusters: An application of first-principles interaction potentials based on a polarizable and flexible model journal October 2004
Anion Photoelectron Spectra and Ab Initio Calculations of the Iodide–Carbon Monoxide Clusters: I···(CO)n, n = 1–4 journal April 2012
Study of I−(CO2)n, Br−(CO2)n, and I−(N2O)n clusters by anion photoelectron spectroscopy journal March 1995
Halogen bonding: the σ-hole: Proceedings of “Modeling interactions in biomolecules II”, Prague, September 5th–9th, 2005 journal August 2006
Negative Ion Zero Electron Kinetic Energy Spectroscopy of I-.cntdot.CH3I journal February 1995
High resolution low-energy electron attachment to CF3I journal December 2005
Dissociative electron attachment to CF3I: an example of a completely unbalanced excess energy distribution journal January 1986