Resonance enhanced multiphoton ionization spectroscopy of the NF molecule: 1Σ+ and 1Δ 3p Rydberg states

J. M. Dyke, T. Keszthelyi, E. P.F. Lee, R. J. Low, R. Richter

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6 Citations (Scopus)

Abstract

Two Rydberg states of the NF molecule, the 2 1Δ and 2 1Σ+ states, have been investigated by multiphoton ionization (MPI) spectroscopy. These states are observed via the two-photon resonance enhancements they provide in the multiphoton ionization spectra of NF a 1Δ and NF b 1Σ+. Both states are assigned on the basis of experimental evidence as Rydberg states with the dominant configuration ...1π421 (3pπ)1. Ab initio calculations performed at the multireference determinant configuration interaction (MRDCI) level showed that these states were of mixed Rydberg-valence character with the Rydberg character [⋯ 1π42π1 (3pπ)1] dominating at short bond lengths (< 1.35 Å) and the valence character (⋯ 1π323) becoming more important at longer bond lengths (> 1.35 Å). These calculations also proved useful in providing a mechanism to account for the rotational predissociation observed in the experimental spectra.

Original languageEnglish
Pages (from-to)6360-6368
Number of pages9
JournalThe Journal of Chemical Physics
Volume99
Issue number9
DOIs
Publication statusPublished - Jan 1 1993

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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