Bifurcated hydrogen bonds in platinum(II) complexes with
phosphinoamine ligands

J 2019

Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands

SOJKA, Martin, Jaromír TOUŠEK, Zahra BADRI, Cina FOROUTANNEJAD, Marek NEČAS et. al.

Basic information

Original name

Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands

Authors

SOJKA, Martin (203 Czech Republic, belonging to the institution), Jaromír TOUŠEK (203 Czech Republic, belonging to the institution), Zahra BADRI (364 Islamic Republic of Iran, belonging to the institution), Cina FOROUTANNEJAD (364 Islamic Republic of Iran, belonging to the institution) and Marek NEČAS (203 Czech Republic, guarantor, belonging to the institution)

Edition

Polyhedron, Pergamon Press, 2019, 0277-5387

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10402 Inorganic and nuclear chemistry

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 2.343

RIV identification code

RIV/00216224:14310/19:00107823

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1016/j.poly.2019.06.014

UT WoS

000489192100068

Keywords in English

Hydrogen bonding; Phosphinoamines; Platinum complexes; Hirshfeld surface; QTAIM

Abstract

V originále

In this work we report an investigation of the influence of bifurcated intramolecular hydrogen bonds on conformations of platinum(II) complexes with phosphinoamine ligands. The series of new cis and trans-PtCl2L2 complexes with phosphinoamine ligands was synthesized and characterized by H-1, P-31, Pt-195 NMR, IR, and molecular structures of 8 complexes were determined by X-ray crystallography. The hydrogen bonds are observed between NH center dot center dot center dot CIPt and NH center dot center dot center dot R (R = COOCH3, C(O)CH3, F, CN) moieties of the ligands and Pt core. The structural data from X-ray diffraction are linked to calculated conformational energies from density functional theory (DFT) and topological analysis results obtained from quantum theory of atoms in molecules (QTAIM) calculations. The most prominent NH center dot center dot center dot ClPt interactions are found in the cis complexes with para substituted phosphinoamine ligands, which show delocalization indexes (DI) up to 0.09. The ortho substituted phosphinoamine ligands decrease the DI values down to zero for C(O)OCH3 and C(O)CH3 moieties. (C) 2019 Elsevier Ltd. All rights reserved.

Links

GA16-05961S, research and development project

Name: Pokročilé nosiče platinových léčiv

Investor: Czech Science Foundation

LM2015085, research and development project

Name: CERIT Scientific Cloud (Acronym: CERIT-SC)

Investor: Ministry of Education, Youth and Sports of the CR, CERIT Scientific Cloud

LQ1601, research and development project

Name: CEITEC 2020 (Acronym: CEITEC2020)

Investor: Ministry of Education, Youth and Sports of the CR

90043, large research infrastructures

Name: CIISB

Citovat

SOJKA, Martin, Jaromír TOUŠEK, Zahra BADRI, Cina FOROUTANNEJAD and Marek NEČAS. Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands. Polyhedron. Pergamon Press, 2019, vol. 170, 15 September 2019, p. 593-601. ISSN 0277-5387. Available from: https://dx.doi.org/10.1016/j.poly.2019.06.014.

@article{1585656,
   author = {Sojka, Martin and Toušek, Jaromír and Badri, Zahra and Foroutannejad, Cina and Nečas, Marek},
   article_number = {15 September 2019},
   doi = {http://dx.doi.org/10.1016/j.poly.2019.06.014},
   keywords = {Hydrogen bonding; Phosphinoamines; Platinum complexes; Hirshfeld surface; QTAIM},
   language = {eng},
   issn = {0277-5387},
   journal = {Polyhedron},
   title = {Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands},
   url = {https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub},
   volume = {170},
   year = {2019}
}

TY  - JOUR
ID  - 1585656
AU  - Sojka, Martin - Toušek, Jaromír - Badri, Zahra - Foroutannejad, Cina - Nečas, Marek
PY  - 2019
TI  - Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands
JF  - Polyhedron
VL  - 170
IS  - 15 September 2019
SP  - 593-601
EP  - 593-601
PB  - Pergamon Press
SN  - 02775387
KW  - Hydrogen bonding
KW  - Phosphinoamines
KW  - Platinum complexes
KW  - Hirshfeld surface
KW  - QTAIM
UR  - https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub
L2  - https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub
N2  - In this work we report an investigation of the influence of bifurcated intramolecular hydrogen bonds on conformations of platinum(II) complexes with phosphinoamine ligands. The series of new cis and trans-PtCl2L2 complexes with phosphinoamine ligands was synthesized and characterized by H-1, P-31, Pt-195 NMR, IR, and molecular structures of 8 complexes were determined by X-ray crystallography. The hydrogen bonds are observed between NH center dot center dot center dot CIPt and NH center dot center dot center dot R (R = COOCH3, C(O)CH3, F, CN) moieties of the ligands and Pt core. The structural data from X-ray diffraction are linked to calculated conformational energies from density functional theory (DFT) and topological analysis results obtained from quantum theory of atoms in molecules (QTAIM) calculations. The most prominent NH center dot center dot center dot ClPt interactions are found in the cis complexes with para substituted phosphinoamine ligands, which show delocalization indexes (DI) up to 0.09. The ortho substituted phosphinoamine ligands decrease the DI values down to zero for C(O)OCH3 and C(O)CH3 moieties. (C) 2019 Elsevier Ltd. All rights reserved.
ER  -

SOJKA, Martin, Jaromír TOUŠEK, Zahra BADRI, Cina FOROUTANNEJAD and Marek NEČAS. Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands. \textit{Polyhedron}. Pergamon Press, 2019, vol.~170, 15 September 2019, p.~593-601. ISSN~0277-5387. Available from: https://dx.doi.org/10.1016/j.poly.2019.06.014.

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