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Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te). / Ryzhikov, M. R.; Kozlova, S. G.

In: Journal of Structural Chemistry, Vol. 58, No. 5, 01.09.2017, p. 861-865.

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

Harvard

Ryzhikov, MR & Kozlova, SG 2017, 'Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te)', Journal of Structural Chemistry, vol. 58, no. 5, pp. 861-865. https://doi.org/10.1134/S002247661705002X

APA

Ryzhikov, M. R., & Kozlova, S. G. (2017). Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te). Journal of Structural Chemistry, 58(5), 861-865. https://doi.org/10.1134/S002247661705002X

Vancouver

Ryzhikov MR, Kozlova SG. Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te). Journal of Structural Chemistry. 2017 Sept 1;58(5):861-865. doi: 10.1134/S002247661705002X

Author

Ryzhikov, M. R. ; Kozlova, S. G. / Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te). In: Journal of Structural Chemistry. 2017 ; Vol. 58, No. 5. pp. 861-865.

BibTeX

@article{78017a0e7e194dff83fdc111c424c639,
title = "Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te)",
abstract = "The quantum chemical calculations of induced electric currents in (μ-H)2Fe3(μ3-Q)(CO)9 complexes, where Q = S, Se, Te, are carried out. It is demonstrated that the appearance of anomalous 1Н NMR chemical shifts on bridging hydrogen atoms is, first of all, due to the effect of induced currents on iron atoms.",
keywords = "Н NMR chemical shifts, density functional theory, induced currents, trinuclear iron cluster compounds, H-1 NMR chemical shifts, APPROXIMATION, HYDRIDES, COMPLEXES, CHALCOGENIDE, MOLECULES, DENSITY, HYDROGEN, MAGNETIC-RESONANCE, CARBONYL, CHEMISTRY",
author = "Ryzhikov, {M. R.} and Kozlova, {S. G.}",
year = "2017",
month = sep,
day = "1",
doi = "10.1134/S002247661705002X",
language = "English",
volume = "58",
pages = "861--865",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",
number = "5",

}

RIS

TY - JOUR

T1 - Induced currents and an 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te)

AU - Ryzhikov, M. R.

AU - Kozlova, S. G.

PY - 2017/9/1

Y1 - 2017/9/1

N2 - The quantum chemical calculations of induced electric currents in (μ-H)2Fe3(μ3-Q)(CO)9 complexes, where Q = S, Se, Te, are carried out. It is demonstrated that the appearance of anomalous 1Н NMR chemical shifts on bridging hydrogen atoms is, first of all, due to the effect of induced currents on iron atoms.

AB - The quantum chemical calculations of induced electric currents in (μ-H)2Fe3(μ3-Q)(CO)9 complexes, where Q = S, Se, Te, are carried out. It is demonstrated that the appearance of anomalous 1Н NMR chemical shifts on bridging hydrogen atoms is, first of all, due to the effect of induced currents on iron atoms.

KW - Н NMR chemical shifts

KW - density functional theory

KW - induced currents

KW - trinuclear iron cluster compounds

KW - H-1 NMR chemical shifts

KW - APPROXIMATION

KW - HYDRIDES

KW - COMPLEXES

KW - CHALCOGENIDE

KW - MOLECULES

KW - DENSITY

KW - HYDROGEN

KW - MAGNETIC-RESONANCE

KW - CARBONYL

KW - CHEMISTRY

UR - http://www.scopus.com/inward/record.url?scp=85032037762&partnerID=8YFLogxK

U2 - 10.1134/S002247661705002X

DO - 10.1134/S002247661705002X

M3 - Article

AN - SCOPUS:85032037762

VL - 58

SP - 861

EP - 865

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 5

ER -

ID: 9875822