Polyiodides of amino acids. Betainium triiodide

Author(s)
Gerald Giester, Ashkhen L. Zatikyan, Gayane S. Tonoyan, Vahram V. Ghazaryan, Marek Szafrański, Aram M. Petrosyan
Abstract

A new salt of betaine, betainium triiodide, (BetH)(I3), was synthesized and characterized using structural analysis and infrared spectroscopy. It crystallizes in the monoclinic space group C2/m with the asymmetric part containing half of the formula unit. The structure determination revealed that the betainium cation forms an (A+···A+) type centrosymmetric betainium···betainium dimeric cation with an O···O distance of 2.662(6) Å. The presence of the triiodide anion in the structure provides semiconductor properties of the resulting crystal. The bandgap for (BetH)(I3) was calculated from the electronic structure based on the crystal structure and measured from the diffuse reflectance spectrum. The results are compared with two previously known structurally characterized salts of amino acids that also contain the triiodide anion: (L-AlaH···L-Ala)(I3) and (GlyH)(I3). Thermal properties of the crystal were studied by TG and DSC methods.

Organisation(s)
Department of Mineralogy and Crystallography
External organisation(s)
Yerevan State University, National Academy of Sciences of the Republic of Armenia, Adam Mickiewicz University, Institute of Applied Problems of Physics
Journal
Journal of Molecular Structure
Volume
1297
ISSN
0022-2860
DOI
https://doi.org/10.1016/j.molstruc.2023.136960
Publication date
02-2024
Peer reviewed
Yes
Austrian Fields of Science 2012
105116 Mineralogy, 105113 Crystallography
Keywords
ASJC Scopus subject areas
Analytical Chemistry, Spectroscopy, Organic Chemistry, Inorganic Chemistry
Portal url
https://ucrisportal.univie.ac.at/en/publications/43c6e968-5954-4995-9987-7b474fa96e1e