Zero electron kinetic energy photoelectron and threshold photoionization spectroscopy of M-X(CH3)3 (M= Ga, In; X = P, As)

Shenggang Li, Gretchen K. Rothschopf, Bradford R. Sohnlein, Jason F. Fuller, Dong Sheng Yang

Research output: Contribution to journalArticlepeer-review

Abstract

This paper presents pulsed-field ionization, zero electron kinetic energy (ZEKE) photoelectron and threshold photoionization spectra of M-X(CH 3)3 (M = Ga, In; X = P, As). The ZEKE spectra exhibit well-resolved vibrational structures. A comparison with B3LYP calculations shows that the spectrum of In-P(CH3)3 arises from the 1A12E transition and the spectra of Ga-P(CH3)3 and Ga-As(CH3)3 arise from transitions of a Jahn-Teller distorted doublet state to the 1A1 state. The intensities of the 1A 1-2E transition in the indium species are described with the Franck-Condon approximation, while the transitions in the gallium complexes are more complicated due to the dynamic Jahn-Teller effect. The adiabatic ionization potentials of Ga-P(CH3)3, In-P(CH 3)3, and Ga-As(CH3)3 are 39 635, 38 930, and 40 322 cm-1, respectively, and the ionization threshold of In-As(CH3)3 is ∼39 550 cm-1. The metal-ligand stretching frequencies are 143, 116, and 125 cm-1 for Ga+-P, In+-P, and Ga+-As. respectively, and 96 cm-1 for In-P. The intermolecular bending frequencies are 71, 65, and 42 cm-1 for Ga+-P-C, In+-P-C, and Ga +-As-C, respectively, and 47 cm-1 for In-P-C. In addition, ligand-based vibrational frequencies are determined for the CH3 wag, PC3 and AsC3 umbrella, and P-C stretching vibrations.

Original languageEnglish
Pages (from-to)1067-1076
Number of pages10
JournalCanadian Journal of Chemistry
Volume82
Issue number6
DOIs
StatePublished - Jun 2004

Keywords

  • DFT
  • Gallium-arsine
  • Gallium-phosphine
  • Indium-arsine
  • Indium-phosphine
  • Photoionization
  • ZEKE photoelectron

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Organic Chemistry

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