ArticleHeliyon2024
Comprehensive analysis of the electronic, thermodynamic, and spectroscopic properties of a Cu(II)-based complex with 1,10-phenanthroline and L-glutamine.
Article in Heliyon, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
3 citing papers in PubMed.
- Article
- Synthesis, spectroscopy, density functional theory study and biological activity of [Cu(phen)(L-arg)Cl]Cl·2.5HScientific reports · 2026Article
- Exploring the Potential of a New Nickel(II):Phenanthroline Complex with L-isoleucine as an Antitumor Agent: Design, Crystal Structure, Spectroscopic Characterization, and Theoretical Insights.Molecules (Basel, Switzerland) · 2025Article
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Authors and funding
11 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This study reports additional information's of geometric, electronic, thermodynamic, and vibrational properties of a Cu(II) complex with 1,10-phenanthroline and L-glutamine ligands. The experimental spectroscopic analyses were corroborated by density functional theory (DFT). Furthermore, these properties were evaluated using an implicit solvation method with water and methanol solvents, including vacuum condition. The theoretical predictions provided a deeper understanding of the frontier molecular orbitals, chemical reactivity indices, dipole moment, and electrostatic potential maps. A computational analysis of the intermolecular interactions using Hirshfeld surfaces was also performed, which demonstrated that the H⋯O/O⋯H and H⋯H interactions are mainly responsible for the structural and thermal stability of the complex. The calculated intramolecular vibration bands showed a good correlation with the experimental Raman and infrared (IR) data, although solvation effects caused some wavenumber shifts.
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Registered trials
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