Structural Chemistry, volume 27, issue 1, pages 305-313

Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals

Bartashevich E. V. ¹

Nasibullina S E ¹

Bolshakov O I ¹

Tsirelson V. G. ²

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South Ural State University (national research university), Chelyabinsk, Russia |

D.I. Mendeleev University of Chemical Technology, Moscow, Russia |

Publication type: Journal Article

Publication date: 2015-12-02

Springer Nature

Journal: Structural Chemistry

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Impact factor: 1.7

ISSN: 10400400, 15729001

DOI: 10.1007/S11224-015-0714-5

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Physical and Theoretical Chemistry

Condensed Matter Physics

Abstract

Abstract Analysis of iodine-derived chalcogenazolo(ino)quinolinium mono- and triiodides shows that the covalently bonded iodine atoms in the fragments C(sp2)–I and C(sp3)–I differ significantly in iodide–iodine halogen bonding ability. The local and integrated characteristics of kinetic, potential, and total electronic energy for C–I covalent bond have been examined. It has been found that both delocalization indices of iodine covalent bond and the total electronic energy density integrated over carbon–iodine interatomic surface can be used as quantitative criteria of iodine-derived cation ability to form the halogen bond with triiodide anion in crystals.

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Journal of Molecular Structure	Journal of Molecular Structure, 2, 22.22% Journal of Molecular Structure 2 publications, 22.22%
Theoretical Chemistry Accounts	Theoretical Chemistry Accounts, 1, 11.11% Theoretical Chemistry Accounts 1 publication, 11.11%
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1, 11.11% Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 1 publication, 11.11%
Structural Chemistry	Structural Chemistry, 1, 11.11% Structural Chemistry 1 publication, 11.11%
Russian Chemical Bulletin	Russian Chemical Bulletin, 1, 11.11% Russian Chemical Bulletin 1 publication, 11.11%
Journal of Thermal Analysis and Calorimetry	Journal of Thermal Analysis and Calorimetry, 1, 11.11% Journal of Thermal Analysis and Calorimetry 1 publication, 11.11%
Journal of Organic Chemistry	Journal of Organic Chemistry, 1, 11.11% Journal of Organic Chemistry 1 publication, 11.11%
Crystal Growth and Design	Crystal Growth and Design, 1, 11.11% Crystal Growth and Design 1 publication, 11.11%
	1 2

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	1 2 3 4
Springer Nature	Springer Nature, 4, 44.44% Springer Nature 4 publications, 44.44%
Elsevier	Elsevier, 2, 22.22% Elsevier 2 publications, 22.22%
American Chemical Society (ACS)	American Chemical Society (ACS), 2, 22.22% American Chemical Society (ACS) 2 publications, 22.22%
International Union of Crystallography (IUCr)	International Union of Crystallography (IUCr), 1, 11.11% International Union of Crystallography (IUCr) 1 publication, 11.11%
	1 2 3 4

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Bartashevich E. V. et al. Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals // Structural Chemistry. 2015. Vol. 27. No. 1. pp. 305-313.

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Bartashevich E. V., Nasibullina S. E., Bolshakov O. I., Tsirelson V. G. Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals // Structural Chemistry. 2015. Vol. 27. No. 1. pp. 305-313.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1007/S11224-015-0714-5

UR - https://doi.org/10.1007%2FS11224-015-0714-5

TI - Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals

T2 - Structural Chemistry

AU - Bartashevich, E. V.

AU - Nasibullina, S E

AU - Bolshakov, O I

AU - Tsirelson, V. G.

PY - 2015

DA - 2015/12/02 00:00:00

PB - Springer Nature

SP - 305-313

IS - 1

VL - 27

SN - 1040-0400

SN - 1572-9001

ER -

BibTex |

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BibTex Copy

@article{2015_Bartashevich,

author = {E. V. Bartashevich and S E Nasibullina and O I Bolshakov and V. G. Tsirelson},

title = {Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals},

journal = {Structural Chemistry},

year = {2015},

volume = {27},

publisher = {Springer Nature},

month = {dec},

url = {https://doi.org/10.1007%2FS11224-015-0714-5},

number = {1},

pages = {305--313},

doi = {10.1007/S11224-015-0714-5}

}

MLA

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MLA Copy

Bartashevich, E. V., et al. “Exploring heterocyclic cations ability to form the iodide-iodine halogen bond: case study of chalcogenazolo(ino)quinolinium crystals.” Structural Chemistry, vol. 27, no. 1, Dec. 2015, pp. 305-313. https://doi.org/10.1007%2FS11224-015-0714-5.

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Publisher

Springer Nature

Journal

Structural Chemistry

Quartile SCImago

Quartile WOS

Impact factor

1.7

ISSN

10400400 (Print)
15729001 (Electronic)

Profiles

Bolshakov, Oleg A