Standard

HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE : COMBINED EXPERIMENTAL AND THEORETICAL STUDY. / Mardaleishvili, I. R.; Vologzhanina, A. V.; Novikov, A. S.; Shienok, A. I.; Kol′tsova, L. S.; Zaichenko, N. L.; Nadtochenko, V. A.; Tskhovrebov, A. G.

In: Journal of Structural Chemistry, Vol. 63, No. 4, 01.04.2022, p. 626-633.

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

Harvard

Mardaleishvili, IR, Vologzhanina, AV, Novikov, AS, Shienok, AI, Kol′tsova, LS, Zaichenko, NL, Nadtochenko, VA & Tskhovrebov, AG 2022, 'HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE: COMBINED EXPERIMENTAL AND THEORETICAL STUDY', Journal of Structural Chemistry, vol. 63, no. 4, pp. 626-633. https://doi.org/10.1134/s002247662204014x

APA

Mardaleishvili, I. R., Vologzhanina, A. V., Novikov, A. S., Shienok, A. I., Kol′tsova, L. S., Zaichenko, N. L., Nadtochenko, V. A., & Tskhovrebov, A. G. (2022). HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE: COMBINED EXPERIMENTAL AND THEORETICAL STUDY. Journal of Structural Chemistry, 63(4), 626-633. https://doi.org/10.1134/s002247662204014x

Vancouver

Mardaleishvili IR, Vologzhanina AV, Novikov AS, Shienok AI, Kol′tsova LS, Zaichenko NL et al. HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE: COMBINED EXPERIMENTAL AND THEORETICAL STUDY. Journal of Structural Chemistry. 2022 Apr 1;63(4):626-633. https://doi.org/10.1134/s002247662204014x

Author

Mardaleishvili, I. R. ; Vologzhanina, A. V. ; Novikov, A. S. ; Shienok, A. I. ; Kol′tsova, L. S. ; Zaichenko, N. L. ; Nadtochenko, V. A. ; Tskhovrebov, A. G. / HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE : COMBINED EXPERIMENTAL AND THEORETICAL STUDY. In: Journal of Structural Chemistry. 2022 ; Vol. 63, No. 4. pp. 626-633.

BibTeX

@article{6d1914613772408783ddec4f6dbbb7ba,
title = "HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE: COMBINED EXPERIMENTAL AND THEORETICAL STUDY",
abstract = "Abstract: The title compound, 1,1′-((1E,1′E)-(pyridine-3,4-diylbis(azanylylidene))bis(methanylylidene))bis (naphthalen-2-ol) (1), was synthesized and structurally characterized. The compound cocrystallized with one MeCN molecule. Interestingly, one of two salicylaldehyde Schiff base fragments exists in enol form, while the other one - in a ketone form. Moreover, cocrystallized acetonitrile molecule forms hydrogen bonding with three hydrogen atoms of the dye molecule. The nature and energies of intermolecular and intramolecular hydrogen bonds were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader′s theory (QTAIM method). [Figure not available: see fulltext.]",
keywords = "azomethines, DFT, hydrogen bonding, imines, Schiff bases, weak interactions",
author = "Mardaleishvili, {I. R.} and Vologzhanina, {A. V.} and Novikov, {A. S.} and Shienok, {A. I.} and Kol′tsova, {L. S.} and Zaichenko, {N. L.} and Nadtochenko, {V. A.} and Tskhovrebov, {A. G.}",
note = "Publisher Copyright: {\textcopyright} 2022, Pleiades Publishing, Ltd.",
year = "2022",
month = apr,
day = "1",
doi = "10.1134/s002247662204014x",
language = "English",
volume = "63",
pages = "626--633",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer Nature",
number = "4",

}

RIS

TY - JOUR

T1 - HYDROGEN BONDING IN THE CRYSTAL OF 1,1′-((1E,1′E)-(PYRIDINE-3,4-DIYLBIS (AZANYLYLIDENE))BIS(METHANYLYLIDENE))- BIS(NAPHTHALEN-2-OL) ACETONITRILE SOLVATE

T2 - COMBINED EXPERIMENTAL AND THEORETICAL STUDY

AU - Mardaleishvili, I. R.

AU - Vologzhanina, A. V.

AU - Novikov, A. S.

AU - Shienok, A. I.

AU - Kol′tsova, L. S.

AU - Zaichenko, N. L.

AU - Nadtochenko, V. A.

AU - Tskhovrebov, A. G.

N1 - Publisher Copyright: © 2022, Pleiades Publishing, Ltd.

PY - 2022/4/1

Y1 - 2022/4/1

N2 - Abstract: The title compound, 1,1′-((1E,1′E)-(pyridine-3,4-diylbis(azanylylidene))bis(methanylylidene))bis (naphthalen-2-ol) (1), was synthesized and structurally characterized. The compound cocrystallized with one MeCN molecule. Interestingly, one of two salicylaldehyde Schiff base fragments exists in enol form, while the other one - in a ketone form. Moreover, cocrystallized acetonitrile molecule forms hydrogen bonding with three hydrogen atoms of the dye molecule. The nature and energies of intermolecular and intramolecular hydrogen bonds were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader′s theory (QTAIM method). [Figure not available: see fulltext.]

AB - Abstract: The title compound, 1,1′-((1E,1′E)-(pyridine-3,4-diylbis(azanylylidene))bis(methanylylidene))bis (naphthalen-2-ol) (1), was synthesized and structurally characterized. The compound cocrystallized with one MeCN molecule. Interestingly, one of two salicylaldehyde Schiff base fragments exists in enol form, while the other one - in a ketone form. Moreover, cocrystallized acetonitrile molecule forms hydrogen bonding with three hydrogen atoms of the dye molecule. The nature and energies of intermolecular and intramolecular hydrogen bonds were studied theoretically using DFT calculations and topological analysis of the electron density distribution within the formalism of Bader′s theory (QTAIM method). [Figure not available: see fulltext.]

KW - azomethines

KW - DFT

KW - hydrogen bonding

KW - imines

KW - Schiff bases

KW - weak interactions

UR - http://www.scopus.com/inward/record.url?scp=85132130282&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/f519d74c-58bf-34a1-8bae-233e01adefc3/

U2 - 10.1134/s002247662204014x

DO - 10.1134/s002247662204014x

M3 - Article

AN - SCOPUS:85132130282

VL - 63

SP - 626

EP - 633

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 4

ER -

ID: 98033519