Two-Color Pulsed-Field Ionization-Photoelectron Spectroscopy : A Quest to Benchmark State-of-the-Art ab initio Quantum Electronic Structure Calculations of Spectroscopic and Energetic Properties for Transition Metal-Containing Species

Research output: Chapters, Conference Papers, Creative and Literary Works (RGC: 12, 32, 41, 45)12_Chapter in an edited book (Author)peer-review

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Author(s)

  • Zhihong Luo
  • Yih-Chung Chang
  • Chow-Shing Lam
  • Kai-Chung Lau
  • Cheuk-Yiu Ng

Related Research Unit(s)

Detail(s)

Original languageEnglish
Title of host publicationFrontiers and Advances in Molecular Spectroscopy
EditorsJaan Laane
PublisherElsevier Inc.
Pages195-249
ISBN (Print)9780128112212, 9780128112205
Publication statusPublished - 13 Nov 2017

Abstract

We have implemented a laser ablation metal beam source for the production of supersonically cooled gaseous transition metal (M)-containing molecular species. Using this cold metal beam source, together with the application of two-color visible-ultraviolet (VIS-UV) excitation schemes, we have successfully obtained high-resolution pulsed-field-ionization-photoelectron (PFI-PE) spectra for an array of diatomic transition metal carbides, nitrides, and oxides (MX, X=C, N, and O). The quantum-rovibrational-state-selected and resolved PFI-PE spectra thus obtained have allowed unambiguous rotational analyses of these PFI-PE spectra, resulting in highly reliable spectroscopic constants and energetic properties for these MX species and their cations MX+ with unprecedented precision. Realizing that these highly accurate determinations are excellent benchmarks for state-of-the-art ab initio quantum chemical calculations, we have also performed extensive theoretical calculations based on state-of-the-art wave-function-based coupled-cluster theoretical procedures for comparison with experimental determinations, aiming to provide an impetus for the further development of theoretical schemes for more accurate spectroscopic and energetic predictions of M-containing species. Recent progress made in recording quantum-state-resolved PFI-PE spectra of M-containing triatomic species using single-photon vacuum ultraviolet laser and two-color VIS-UV laser excitation schemes are also discussed.

Research Area(s)

  • Bond dissociation energy, Coupled-cluster calculations, Ionization energy, Photoelectron spectroscopy, Pulsed-field ionization, State-to-state photoionization spectroscopy

Bibliographic Note

Full text of this publication does not contain sufficient affiliation information. With consent from the author(s) concerned, the Research Unit(s) information for this record is based on the existing academic department affiliation of the author(s).

Citation Format(s)

Two-Color Pulsed-Field Ionization-Photoelectron Spectroscopy : A Quest to Benchmark State-of-the-Art ab initio Quantum Electronic Structure Calculations of Spectroscopic and Energetic Properties for Transition Metal-Containing Species. / Luo, Zhihong; Chang, Yih-Chung; Lam, Chow-Shing; Lau, Kai-Chung; Ng, Cheuk-Yiu.

Frontiers and Advances in Molecular Spectroscopy. ed. / Jaan Laane. Elsevier Inc., 2017. p. 195-249.

Research output: Chapters, Conference Papers, Creative and Literary Works (RGC: 12, 32, 41, 45)12_Chapter in an edited book (Author)peer-review