Article
Article name The Synthesis and Structure of Guanidinium Ditsitratoborate
Authors Burnashova N. . associate professor,, radannata@mail.ru
Dabizha O.N. Candidate of Chemistry, Associate Professor, dabiga75@mail.ru
Bibliographic description
Section Chemistry
UDK 541.49;542.8:541.5
DOI
Article type
Annotation The synthesis of guanidinium ditsitratoborate was carried out for the first time. It is a new complex compound of boron with organic oxygen-containing ligands. The electronic structure and geometry of the synthesized compounds was studied by semiempirical quantum-chemical method PM3. The algorithm of calculation was implemented using software package HYPERCHEM. The structure of the complex was minimized in energy using the MM+ method. It consists of guanidinium cations and anions of large complex structures – ditsitratoborate anions. The spatial structure and geometry of guanidinium ditsitratoborate are close to the structure of alkali metals dimalatoborate described in professional literature. The values of energies and dipole moments of the complex, its inner and outer spheres were calculated. The results of quantum chemical calculations of bonding energies and heats for forming the compound under study allow the authors to conclude that its formation is energetically favorable. The synthesis and the study of the properties of guanidinium ditsitratoborate present interest in connection with its potential biocidal activity.
Key words synthesis, complex compound, structure, geometry, energy, quantumchemical calculations, energy, dipole moment.
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Full articleThe Synthesis and Structure of Guanidinium Ditsitratoborate