Iodides and polyiodides of l-arginine

• Published in: Journal of molecular structure Vol. 1321; p. 139688
• Main Authors: Petrosyan, A.M., Giester, G., Tonoyan, G.S., Ghazaryan, V.V., Zatikyan, A.L., Chilingaryan, R.Yu, Margaryan, A.A., Mkrtchyan, A.H.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.02.2025
• Subjects: Crystal structure; Iodide; L-arginine; Polyiodide; Vibrational spectra, DFT, bandgap; Polyiodide; Iodide; Vibrational spectra, DFT, bandgap; L-arginine; Crystal structure
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2024.139688

•Crystals of elusive l-argininium(+) iodide (l-ArgH)(I) salt were obtained and characterized.•Crystal l-argininium(2+) bis-iodide (l-ArgH2)(I)2 was reinvestigated structurally.•Crystals of l-argininium(2+) bis-triiodide (l-ArgH2)(I3)2 were investigated thoroughly. Exploring l-arginine salts, particularly halogenides, for their nonlinear optical properties has been a subject of significant interest. While various l-arginine salts were extensively studied, their iodide counterparts remained elusive until recent investigations. This study aims to synthesize and characterize l-argininium(+) iodide (l-ArgH)(I) (I), to reinvestigate l-argininium(2+) bis-iodide (l-ArgH2)(I)2 (II), and explore l-argininium(2+) bis-triiodide (l-ArgH2)(I3)2 (III), l-argininium(+) triiodide (l-ArgH)(I3) (IV) and bis-l-argininium(+) triiodide pentaiodide (l-ArgH)2(I3)(I5) (V). Crystal structures of salts (I-III) were determined to elucidate their molecular arrangements. Infrared and Raman spectra of all five compounds were registered and discussed. Electronic band structures of the salts (I-III) were determined by quantum chemical calculations. Molecular structure of (l-ArgH)(I). [Display omitted]