Standard

Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase : Complex experimental and theoretical study. / Kovaleva, Evgenia A.; Kuzubov, Alexander A.; Vikulova, Evgeniia S. et al.

In: Journal of Molecular Structure, Vol. 1146, 15.10.2017, p. 677-683.

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

Harvard

Kovaleva, EA, Kuzubov, AA, Vikulova, ES, Basova, TV & Morozova, NB 2017, 'Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study', Journal of Molecular Structure, vol. 1146, pp. 677-683. https://doi.org/10.1016/j.molstruc.2017.06.059

APA

Kovaleva, E. A., Kuzubov, A. A., Vikulova, E. S., Basova, T. V., & Morozova, N. B. (2017). Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study. Journal of Molecular Structure, 1146, 677-683. https://doi.org/10.1016/j.molstruc.2017.06.059

Vancouver

Kovaleva EA, Kuzubov AA, Vikulova ES, Basova TV, Morozova NB. Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study. Journal of Molecular Structure. 2017 Oct 15;1146:677-683. doi: 10.1016/j.molstruc.2017.06.059

Author

Kovaleva, Evgenia A. ; Kuzubov, Alexander A. ; Vikulova, Evgeniia S. et al. / Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase : Complex experimental and theoretical study. In: Journal of Molecular Structure. 2017 ; Vol. 1146. pp. 677-683.

BibTeX

@article{f2372421404b4f25afc92bb546b8912b,
title = "Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study",
abstract = "The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural parameters and vibrational spectra of Ir(acac)(CO)2 molecule were found to be in a fairly good agreement with the experimental data. Ir(acac)(CO)2 was found to unlikely decompose in the gaseous phase while its adsorption onto the iron surface leads to major structural distortions easing the bond cleavage, molecule decomposition with subsequent formation of iridium films.",
keywords = "Ir(acac)(CO), Iridium films, Mass spectrometry, MOCVD, Quantum chemical modeling, Thermal decomposition, Ir(acac)(CO)(2), THIN-FILMS, CHEMICAL-VAPOR-DEPOSITION, IRIDIUM, CRYSTAL-STRUCTURE, ATOMIC-LAYER DEPOSITION, ELECTRODES, ELASTIC BAND METHOD, PLATINUM-GROUP METALS, MINIMUM ENERGY PATHS, SADDLE-POINTS",
author = "Kovaleva, {Evgenia A.} and Kuzubov, {Alexander A.} and Vikulova, {Evgeniia S.} and Basova, {Tamara V.} and Morozova, {Natalya B.}",
year = "2017",
month = oct,
day = "15",
doi = "10.1016/j.molstruc.2017.06.059",
language = "English",
volume = "1146",
pages = "677--683",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase

T2 - Complex experimental and theoretical study

AU - Kovaleva, Evgenia A.

AU - Kuzubov, Alexander A.

AU - Vikulova, Evgeniia S.

AU - Basova, Tamara V.

AU - Morozova, Natalya B.

PY - 2017/10/15

Y1 - 2017/10/15

N2 - The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural parameters and vibrational spectra of Ir(acac)(CO)2 molecule were found to be in a fairly good agreement with the experimental data. Ir(acac)(CO)2 was found to unlikely decompose in the gaseous phase while its adsorption onto the iron surface leads to major structural distortions easing the bond cleavage, molecule decomposition with subsequent formation of iridium films.

AB - The mechanism of thermal destruction of Ir(acac)(CO)2 as one of the most important MOCVD precursors for Ir coatings deposition was proposed on the footing of the in situ mass spectrometry analysis and quantum chemical modeling. Calculated structural parameters and vibrational spectra of Ir(acac)(CO)2 molecule were found to be in a fairly good agreement with the experimental data. Ir(acac)(CO)2 was found to unlikely decompose in the gaseous phase while its adsorption onto the iron surface leads to major structural distortions easing the bond cleavage, molecule decomposition with subsequent formation of iridium films.

KW - Ir(acac)(CO)

KW - Iridium films

KW - Mass spectrometry

KW - MOCVD

KW - Quantum chemical modeling

KW - Thermal decomposition

KW - Ir(acac)(CO)(2)

KW - THIN-FILMS

KW - CHEMICAL-VAPOR-DEPOSITION

KW - IRIDIUM

KW - CRYSTAL-STRUCTURE

KW - ATOMIC-LAYER DEPOSITION

KW - ELECTRODES

KW - ELASTIC BAND METHOD

KW - PLATINUM-GROUP METALS

KW - MINIMUM ENERGY PATHS

KW - SADDLE-POINTS

UR - http://www.scopus.com/inward/record.url?scp=85020914859&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2017.06.059

DO - 10.1016/j.molstruc.2017.06.059

M3 - Article

AN - SCOPUS:85020914859

VL - 1146

SP - 677

EP - 683

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 9960139