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Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology. / Afaunov, R. E.; Mirzaeva, I. V.; Kozlova, S. G.

In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 02.07.2025.

Research output: Contribution to journal › Article › peer-review

Harvard

Afaunov, RE, Mirzaeva, IV & Kozlova, SG 2025, 'Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology', Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. https://doi.org/10.1134/S1070328425600226

APA

Afaunov, R. E., Mirzaeva, I. V., & Kozlova, S. G. (2025). Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. https://doi.org/10.1134/S1070328425600226

Vancouver

Afaunov RE, Mirzaeva IV, Kozlova SG. Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 2025 Jul 2. doi: 10.1134/S1070328425600226

Author

Afaunov, R. E. ; Mirzaeva, I. V. ; Kozlova, S. G. / Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology. In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 2025.

BibTeX

@article{56df953a2c6c4d4f9713447b7099874c,
title = "Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology",
abstract = "Abstract: Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.",
keywords = "Cu(II) β -diketonates, DFT, QTAIM, bond energy, bond iconicity",
author = "Afaunov, {R. E.} and Mirzaeva, {I. V.} and Kozlova, {S. G.}",
note = "The work was supported by the Ministry of Science and Higher Education of the Russian Federation, project no. 125021302132-4.",
year = "2025",
month = jul,
day = "2",
doi = "10.1134/S1070328425600226",
language = "English",
journal = "Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya",
issn = "1070-3284",
publisher = "Maik Nauka-Interperiodica Publishing",

}

RIS

TY - JOUR

T1 - Estimating Strength of Cu–O Bonds in Cu(II) β-Diketonates from Electron Density Topology

AU - Afaunov, R. E.

AU - Mirzaeva, I. V.

AU - Kozlova, S. G.

N1 - The work was supported by the Ministry of Science and Higher Education of the Russian Federation, project no. 125021302132-4.

PY - 2025/7/2

Y1 - 2025/7/2

N2 - Abstract: Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.

AB - Abstract: Copper(II) β-diketonates are popular MOCVD precursors for production of copper and copper-containing coatings. For further development and targeted design of new precursors of this type it would be very useful to have a tool for fast indirect estimation of the energy of Cu–O bonds. In this work, we have searched for correlations between the energy of Cu–O bonds in Cu(II) β-diketonates and their topological characteristics. Several equations have been proposed.

KW - Cu(II) β -diketonates

KW - DFT

KW - QTAIM

KW - bond energy

KW - bond iconicity

UR - https://www.mendeley.com/catalogue/c1d505bd-618f-32fc-b2b2-61bdba00c7c2/

UR - https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=105009536742&origin=inward

U2 - 10.1134/S1070328425600226

DO - 10.1134/S1070328425600226

M3 - Article

JO - Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya

JF - Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya

SN - 1070-3284

ER -

ID: 68303360