| Article |
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| Article name |
The Synthesis and Structure of Guanidinium Ditsitratoborate |
| Authors |
Burnashova N. . associate professor,, radannata@mail.ruDabizha O.N. Candidate of Chemistry, Associate Professor, dabiga75@mail.ru |
| Bibliographic description |
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| Section |
Chemistry |
| UDK |
541.49;542.8:541.5 |
| DOI |
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| Article type |
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| 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.
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| Key words |
synthesis, complex compound, structure, geometry, energy, quantumchemical
calculations, energy, dipole moment. |
| Article information |
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| References |
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| Full article | The Synthesis and Structure of Guanidinium Ditsitratoborate |
