Study of structure and properties of nanosized molybdenum oxide stabilized by hydroxyethylcellulose

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Abstract

In this work, samples of nanoscale molybdenum oxide stabilised by hydroxyethylcellulose were prepared by sol-gel method. Scanning electron microscopy microstructure studies showed that the hydroxyethylcellulose-stabilised molybdenum oxide sample is represented by irregularly shaped aggregates ranging in size from 4 to 75 μm, which consist of nanoparticles with diameters ranging from 30 to 60 nm. As a result of computer quantum-chemical modelling of interaction between hydroxyethylcellulose and molybdenum oxide, it was found that the presented compound is energetically advantageous (∆E ≥ 4022.388 kcal/mol) and interaction occurs through the hydroxyl group attached to the C2 residue of glucopyranose. This compound has a chemical rigidity value of 0.078 eV ≤ η ≤ 0.082 eV, indicating its stability. By IR spectroscopy, it was found that interaction between hydroxyethylcellulose and molybdenum oxide occurs through the hydroxyl group.

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About the authors

A. A. Nagdalian

North-Caucasus Federal University

Email: zafrehman1027@gmail.com
ORCID iD: 0000-0002-6782-2821

Cand. of Sci. (Tech), Docent

Russian Federation, Stavropol

D. D. Filippov

North-Caucasus Federal University

Email: zafrehman1027@gmail.com
ORCID iD: 0000-0003-1997-6583

Laboratory assistant

Russian Federation, Stavropol

Z. A. Rekhman

North-Caucasus Federal University

Author for correspondence.
Email: zafrehman1027@gmail.com
ORCID iD: 0000-0003-2809-4945

Assistant

Russian Federation, Stavropol

A. M. Serov

North-Caucasus Federal University

Email: zafrehman1027@gmail.com
ORCID iD: 0009-0001-2929-4191

Laboratory assistant

Russian Federation, Stavropol

S. N. Povetkin

North-Caucasus Federal University

Email: zafrehman1027@gmail.com
ORCID iD: 0000-0002-8293-3984

Leading engineer

Russian Federation, Stavropol

N. S. Lyubchansky

North-Caucasus Federal University

Email: zafrehman1027@gmail.com
ORCID iD: 0009-0006-4512-8085

Student

Russian Federation, Stavropol

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Supplementary files

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2. Fig.1. SEM images of samples of molybdenum trioxide nanoparticles stabilized by hydroxyethylcellulose: a – 5 times magnification, b – 100 times magnification

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3. Fig.2. Results of modeling the interaction of a hydroxyethylcellulose molecule and molybdenum oxide through a hydroxyl group attached to the C3 residue of glucopyranose: a – model of the molecular complex; b – electron density distribution; c – electron density distribution gradient; d – highest occupied molecular orbital (HOMO); e – lowest unoccupied molecular orbital (LUMO)

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4. Fig.3. Results of modeling the interaction of a hydroxyethylcellulose molecule and molybdenum oxide through a hydroxyl group attached to the C2 residue of glucopyranose: a – model of the molecular complex; b – electron density distribution; c – electron density distribution gradient; d – highest occupied molecular orbital (HOMO); e – lowest unoccupied molecular orbital (LUMO)

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5. Fig.4. Results of modeling the interaction of a hydroxyethylcellulose molecule and molybdenum oxide through a hydroxyl group attached to the C6 residue of glucopyranose: a – model of the molecular complex; b – electron density distribution; c – electron density distribution gradient; d – highest occupied molecular orbital (HOMO); e – lowest unoccupied molecular orbital (LUMO)

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6. Fig.5. IR spectra: a – hydroxyethyl cellulose; b – MoO3 nanoparticles stabilized with hydroxyethyl cellulose

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Copyright (c) 2025 Nagdalian A.A., Filippov D.D., Rekhman Z.A., Serov A.M., Povetkin S.N., Lyubchansky N.S.