CrystEngComm

, volume 22 , issue 7 , pages 1154-1159

(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies

Alexander Mikherdov ^{1, 2, 3, 4}

Svetlana A Katkova ¹

Alexander S. Novikov ^{1, 2, 3, 4}

Mariia M Efremova ¹

Elena Yu Reutskaya ^{1, 2, 3, 4}

M. A. Kinzhalov ^{1, 2, 3, 4}

Hide authors affiliations Show authors affiliations: 4 affiliations

Saint Petersburg State University, Universitetskaya Nab. 7/9, 199034 Saint Petersburg, Russian Federation |

Saint Petersburg State University |

199034 Saint Petersburg |

⁴

RUSSIAN FEDERATION |

Publication type: Journal Article

Publication date: 2020-01-16

Royal Society of Chemistry (RSC)

CrystEngComm

scimago Q2

wos Q2

SJR: 0.520

CiteScore: 5.2

Impact factor: 2.6

ISSN: 14668033

DOI: 10.1039/C9CE01741K

Copy DOI

General Chemistry

Condensed Matter Physics

General Materials Science

Abstract

Inspection of the X-ray structure of the newly prepared trans-[PdCl(CNXyl)ADC] (ADC = XylNH–N–[5-iodo-2,6-dimethylpyrimidin-4-yl]) complex made it possible to identify for the first time the π-hole interaction involving the nitrogen atom of a coordinated isocyano group with a lone pair. Processing of available CSD data and results of DFT calculations revealed the possibility of two different sites for π-hole interaction involving isocyanides, i.e. both isocyano carbon and nitrogen centers are capable of acting as the π-hole donor toward lone pairs.

Found

9 citations

Novikov Alexander

🥼 🤝

PhD in Chemistry

413 publications, 8 170 citations, 251 reviews

h-index: 54

Saint Petersburg State University

Lomonosov Moscow State University

National Research University Higher School of Economics

ITMO University

Research interests

Computational chemistry

Machine learning

Non-covalent Interactions

Quantum Chemistry

Reaction mechanisms

Supramolecular chemistry

5 citations

Kinzhalov Mikhail

🥼 🤝

DSc in Chemistry, associate professor

97 publications, 1 919 citations

h-index: 28

National Research Tomsk Polytechnic University

Saint Petersburg State University

Research interests

Coordination Chemistry

Non-covalent Interactions

Organic Chemistry

Organometallic Chemistry

1 citation

Ananyev Ivan

DSc in Physics and Mathematics

169 publications, 2 868 citations, 19 reviews

h-index: 30

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences

National Research University Higher School of Economics

1 citation

Postnikov Pavel

🥼

DSc in Chemistry

218 publications, 4 638 citations

h-index: 37

National Research Tomsk Polytechnic University

N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Metal-organic coordination polymers

Nanophotonics

Non-covalent Interactions

Organic Chemistry

Physical Chemistry

Plasmonics

Supramolecular chemistry

1 citation

Abramov Pavel

🥼 🤝

DSc in Chemistry, professor

278 publications, 3 848 citations, 61 reviews

h-index: 30

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

National Research Tomsk Polytechnic University

Research interests

Crystallography

1 citation

Semenov Artem

18 publications, 138 citations

h-index: 5

Saint Petersburg State University

Research interests

Coordination Chemistry

Luminescent materials

Medicinal Chemistry

Organic Chemistry

1 citation

Baykov Sergey

🥼 🤝

PhD in Chemistry

99 publications, 1 349 citations, 15 reviews

h-index: 21

Saint Petersburg State University

1 citation

Soldatova Natalia

🥼

PhD in Chemistry

34 publications, 662 citations, 5 reviews

h-index: 16

National Research Tomsk Polytechnic University

Research interests

Chemistry of hypervalent iodine compounds

Chemistry of nitrogen-containing heterocycles

Crystal Engineering

Organic synthesis

Supramolecular chemistry

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GOST |

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GOST Copy

Mikherdov A. et al. (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies // CrystEngComm. 2020. Vol. 22. No. 7. pp. 1154-1159.

GOST all authors (up to 50) Copy

Mikherdov A., Katkova S. A., Novikov A. S., Efremova M. M., Reutskaya E. Yu., Kinzhalov M. A. (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies // CrystEngComm. 2020. Vol. 22. No. 7. pp. 1154-1159.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1039/C9CE01741K

UR - https://xlink.rsc.org/?DOI=C9CE01741K

TI - (Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies

T2 - CrystEngComm

AU - Mikherdov, Alexander

AU - Katkova, Svetlana A

AU - Novikov, Alexander S.

AU - Efremova, Mariia M

AU - Reutskaya, Elena Yu

AU - Kinzhalov, M. A.

PY - 2020

DA - 2020/01/16

PB - Royal Society of Chemistry (RSC)

SP - 1154-1159

IS - 7

VL - 22

SN - 1466-8033

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2020_Mikherdov,

author = {Alexander Mikherdov and Svetlana A Katkova and Alexander S. Novikov and Mariia M Efremova and Elena Yu Reutskaya and M. A. Kinzhalov},

title = {(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies},

journal = {CrystEngComm},

year = {2020},

volume = {22},

publisher = {Royal Society of Chemistry (RSC)},

month = {jan},

url = {https://xlink.rsc.org/?DOI=C9CE01741K},

number = {7},

pages = {1154--1159},

doi = {10.1039/C9CE01741K}

}

MLA

Cite this

MLA Copy

Mikherdov, Alexander, et al. “(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies.” CrystEngComm, vol. 22, no. 7, Jan. 2020, pp. 1154-1159. https://xlink.rsc.org/?DOI=C9CE01741K.

Publisher

Royal Society of Chemistry (RSC)

Journal

CrystEngComm

scimago Q2

wos Q2

SJR

0.520

CiteScore

5.2

Impact factor

2.6

ISSN

14668033 (Print, Electronic)

Labs

Chemistry of coordinated isocyanides

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