Quantum-Chemical Calculations on the Determination of Chromium (VI) Ion with Two Sodium Salts of 1,8- Dioxynaphthaline 3,6-Disulpho Acid

Quantum chemical methods of Gaussian and ORCA software packages were used to calculate the atomic energy of the disodium salt of 1,8-dioxynaphthalene-3,6- disulfoacid, which is used as an analytical reagent for chromium (VI) ions. This reagent contains functionally active and analytically active gro...

Full description

Bibliographic Details
Main Authors: Bobojonov B.B, Madatov O'.A, Bobojonov X.Sh, Smanova Z.A.
Format: Article in Journal/Newspaper
Language:English
Published: Genius Journals 2023
Subjects:
Chromium
disodium salt of 1
8-dioxynaphthalene-3,6- disulfoacid
quantum chemical methods
Orca
Online Access:https://geniusjournals.org/index.php/erb/article/view/3255
Description
Summary:Quantum chemical methods of Gaussian and ORCA software packages were used to calculate the atomic energy of the disodium salt of 1,8-dioxynaphthalene-3,6- disulfoacid, which is used as an analytical reagent for chromium (VI) ions. This reagent contains functionally active and analytically active groups. The geometries of the studied compounds are optimized, the electron density of the molecular orbitals and the total energy of the molecule are calculated

Similar Items