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SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles. / Смирнов, Алексей Николаевич; Одинцова, Ольга Владимировна; Стрельников, Алексей Сергеевич; Шевчук, Алиса Игоревна; Соловьева, Елена Викторовна.

Nanophotonics VIII. ed. / David L. Andrews; Angus J. Bain; Martti Kauranen; Jean-Michel Nunzi. Vol. 11345 2020. 1134522 (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 11345).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

Harvard

Смирнов, АН, Одинцова, ОВ, Стрельников, АС, Шевчук, АИ & Соловьева, ЕВ 2020, SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles. in DL Andrews, AJ Bain, M Kauranen & J-M Nunzi (eds), Nanophotonics VIII. vol. 11345, 1134522, Proceedings of SPIE - The International Society for Optical Engineering, vol. 11345, SPIE PHOTONICS EUROPE - Nanophotonics VIII, France, 6/04/20. https://doi.org/10.1117/12.2553935

APA

Смирнов, А. Н., Одинцова, О. В., Стрельников, А. С., Шевчук, А. И., & Соловьева, Е. В. (2020). SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles. In D. L. Andrews, A. J. Bain, M. Kauranen, & J-M. Nunzi (Eds.), Nanophotonics VIII (Vol. 11345). [1134522] (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 11345). https://doi.org/10.1117/12.2553935

Vancouver

Смирнов АН, Одинцова ОВ, Стрельников АС, Шевчук АИ, Соловьева ЕВ. SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles. In Andrews DL, Bain AJ, Kauranen M, Nunzi J-M, editors, Nanophotonics VIII. Vol. 11345. 2020. 1134522. (Proceedings of SPIE - The International Society for Optical Engineering). https://doi.org/10.1117/12.2553935

Author

Смирнов, Алексей Николаевич ; Одинцова, Ольга Владимировна ; Стрельников, Алексей Сергеевич ; Шевчук, Алиса Игоревна ; Соловьева, Елена Викторовна. / SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles. Nanophotonics VIII. editor / David L. Andrews ; Angus J. Bain ; Martti Kauranen ; Jean-Michel Nunzi. Vol. 11345 2020. (Proceedings of SPIE - The International Society for Optical Engineering).

BibTeX

@inproceedings{0b3e45245a9e48419c47ca8fb786b095,
title = "SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles",
abstract = "In this paper, the DFT calculations for three stilbene derivatives, of 4-aminostilbene, 4,4'-diaminostilbene and 4-amino- 4'-(N,N-diethylamino)stilbene, are proposed enabling to assign the SERS spectra reliably, including in the (hot spots) conditions. The choice of the best model is made based on more than 50 calculations of molecule∗Agn clusters. We studied, how the cluster size (4, 6 and 14 silver atoms), charge (positive localized, non-localized and neutral) and solvent accounting affect on the results of calculation. The obtained theoretical data is compared with the SERS experimental results and with the similar systems from literature. The best correspondence is obtained for the systems with Ag14 complexes (both, in the (bridge way) and (single-end) absorption). Accounting for the solvent brings the calculated data substantially closer to the experimental as well. Charge localization affects on the calculated results for asymmetric complexes only at a given level of theory.",
keywords = "Amino group, DFT, Metal cluster, Raman, SERS, Silver, Stilbene",
author = "Смирнов, {Алексей Николаевич} and Одинцова, {Ольга Владимировна} and Стрельников, {Алексей Сергеевич} and Шевчук, {Алиса Игоревна} and Соловьева, {Елена Викторовна}",
note = "Publisher Copyright: {\textcopyright} 2020 SPIE.; SPIE PHOTONICS EUROPE - Nanophotonics VIII : Online ; Conference date: 06-04-2020 Through 10-04-2020",
year = "2020",
month = apr,
day = "1",
doi = "10.1117/12.2553935",
language = "English",
volume = "11345",
series = "Proceedings of SPIE - The International Society for Optical Engineering",
editor = "Andrews, {David L.} and Bain, {Angus J.} and Martti Kauranen and Jean-Michel Nunzi",
booktitle = "Nanophotonics VIII",
url = "https://spie.org/conferences-and-exhibitions/photonics-europe",

}

RIS

TY - GEN

T1 - SERS spectroscopy and quantum-chemical calculations of stilbene amino derivatives in conditions of adsorption on silver nanoparticles

AU - Смирнов, Алексей Николаевич

AU - Одинцова, Ольга Владимировна

AU - Стрельников, Алексей Сергеевич

AU - Шевчук, Алиса Игоревна

AU - Соловьева, Елена Викторовна

N1 - Publisher Copyright: © 2020 SPIE.

PY - 2020/4/1

Y1 - 2020/4/1

N2 - In this paper, the DFT calculations for three stilbene derivatives, of 4-aminostilbene, 4,4'-diaminostilbene and 4-amino- 4'-(N,N-diethylamino)stilbene, are proposed enabling to assign the SERS spectra reliably, including in the (hot spots) conditions. The choice of the best model is made based on more than 50 calculations of molecule∗Agn clusters. We studied, how the cluster size (4, 6 and 14 silver atoms), charge (positive localized, non-localized and neutral) and solvent accounting affect on the results of calculation. The obtained theoretical data is compared with the SERS experimental results and with the similar systems from literature. The best correspondence is obtained for the systems with Ag14 complexes (both, in the (bridge way) and (single-end) absorption). Accounting for the solvent brings the calculated data substantially closer to the experimental as well. Charge localization affects on the calculated results for asymmetric complexes only at a given level of theory.

AB - In this paper, the DFT calculations for three stilbene derivatives, of 4-aminostilbene, 4,4'-diaminostilbene and 4-amino- 4'-(N,N-diethylamino)stilbene, are proposed enabling to assign the SERS spectra reliably, including in the (hot spots) conditions. The choice of the best model is made based on more than 50 calculations of molecule∗Agn clusters. We studied, how the cluster size (4, 6 and 14 silver atoms), charge (positive localized, non-localized and neutral) and solvent accounting affect on the results of calculation. The obtained theoretical data is compared with the SERS experimental results and with the similar systems from literature. The best correspondence is obtained for the systems with Ag14 complexes (both, in the (bridge way) and (single-end) absorption). Accounting for the solvent brings the calculated data substantially closer to the experimental as well. Charge localization affects on the calculated results for asymmetric complexes only at a given level of theory.

KW - Amino group

KW - DFT

KW - Metal cluster

KW - Raman

KW - SERS

KW - Silver

KW - Stilbene

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U2 - 10.1117/12.2553935

DO - 10.1117/12.2553935

M3 - Conference contribution

VL - 11345

T3 - Proceedings of SPIE - The International Society for Optical Engineering

BT - Nanophotonics VIII

A2 - Andrews, David L.

A2 - Bain, Angus J.

A2 - Kauranen, Martti

A2 - Nunzi, Jean-Michel

T2 - SPIE PHOTONICS EUROPE - Nanophotonics VIII

Y2 - 6 April 2020 through 10 April 2020

ER -

ID: 52735591