Synthesis, structure, Hirshfeld surface analysis and photophysical studies of red emitting europium acetylacetonate complex incorporating a phenanthroline derivative

Rashid Ilmi*, Sevgi Kansız, Necmi Dege, Muhammad S. Khan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)

Abstract

Two new octa-coordinated red emitting complexes of the type [Ln(acac) 3 (Br 2 -phen)] [acac: acetylacetonate, Br 2 -phen: 4,7-dibromo-1,10-phenanthroline, Ln: Sm(III) and Eu(III)] have been synthesized and characterized. Single crystal X-ray diffraction (SCXD) of [Eu(acac) 3 (Br 2 -phen)] and [Eu(acac) 3 (H 2 O) 2 ](H 2 O) revealed distorted square antiprism structure for both complexes. 2D fingerprint plots and Hirshfeld surface analyses signify important interactions in crystal packing [H⋯H (72.2%), O⋯H/H⋯O (18.9%) and C⋯H/H⋯C (6.7%) contacts for [Eu(acac) 3 (H 2 O) 2 ](H 2 O), while [Eu(acac) 3 (Br 2 -phen)] showed H⋯H (40.5%), Br⋯H/H⋯Br (12.9%) and O⋯H/H⋯O (6.5%)] contacts]. Photophysical measurements gave quantum yield (Q Ln L ) of 1.1 and 13% with corresponding luminescence lifetime (τ obs ) of 38.76 ± 0.61 μs and 790 ± 1.53 μs for [Sm(acac) 3 (Br 2 -phen)] and [Eu(acac) 3 (Br 2 -phen)], respectively. We have further evaluated photophysical properties of [Eu(acac) 3 (Br 2 -phen)] theoretically from the optimized sparkle structure and steady-state emission spectrum of Eu(III) complex. The intramolecular energy transfer (W ET ) and back-energy transfer (W BT ) rate predicted from the calculated singlet (S 1 ) and triplet (T 1 ) levels to the emissive 5 D 1 and 5 D 0 states for Eu(III) follow the path S 0 → S 1 → T 15 D 15 D 07 F 0,4 . The Eu(III) complex showed large stimulated emission cross-section (σ (0→2) = 1.27 × 10 −20 cm 2 ) similar to Nd-glass laser (1.6–4.5 × 10 −20 cm 2 ) and offers promise for high-power laser medium.

Original languageEnglish
Pages (from-to)268-281
Number of pages14
JournalJournal of Photochemistry and Photobiology A: Chemistry
Volume377
DOIs
Publication statusPublished - May 15 2019
Externally publishedYes

Keywords

  • Hirshfeld surface analysis
  • Lanthanide
  • Laser properties
  • β-Diketone

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Physics and Astronomy(all)

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