Halogen bonds of iodonium ions: A world dissimilar to silver coordination

Lotta Turunen; Flóra Boróka Németh; Daniel A. Decato; Imre Pápai; Orion B. Berryman; Máté Erdélyi

doi:10.1246/BCSJ.20200274

Halogen bonds of iodonium ions: A world dissimilar to silver coordination

Lotta Turunen
, Flóra Boróka Németh
, Daniel A. Decato
, Imre Pápai
, Orion B. Berryman
, Máté Erdélyi

Chemistry and Biochemistry

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

6 Scopus citations

Abstract

A distinct difference between the three-center halogen bond and the analogous three-center coordinative bond of silver is demonstrated by computational, X-ray crystallographic and solution NMR spectroscopic investigations of their complexes with a bidentate Lewis base. Iodine(I) preferentially forms an entropically favored monomeric complex, whereas silver(I) forms enthalpically favored dimeric complexes. Counterion coordination considerably influences the structure of the silver complexes in the solution and solid state, whereas it does not have notable effect on the analogous halogen bond.

Original language	English
Pages (from-to)	191-196
Number of pages	6
Journal	Bulletin of the Chemical Society of Japan
Volume	94
Issue number	1
DOIs	https://doi.org/10.1246/BCSJ.20200274
State	Published - 2021

Funding

We thank the Swedish Research Council (2016-03602), FORMAS (2017-01173), Magnus Ehrnrooth Foundation, the Finnish Cultural Foundation, and the Wenner-Gren Foundation (F2020-0003) for financial support. We thank Andreas Orthaber (Uppsala University) for access to an X-ray diffractometer. This project made use of the NMR Uppsala infrastructure, which is funded by the Department of Chemistry - BMC and the Disciplinary Domain of Medicine and Pharmacy. OBB and DAD acknowledge support by the Center for Biomolecular Structure and Dynamics CoBRE (NIH NIGMS grant P20GM103546). The X-ray crystallographic data for AgPF4 were collected using a Bruker D8 Venture, principally supported by NSF MRI CHE-1337908. We thank the Swedish Research Council (2016-03602), FORMAS (2017-01173), Magnus Ehrnrooth Foundation, the Finnish Cultural Foundation, and the Wenner-Gren Foundation (F2020-0003) for financial support. We thank Andreas Orthaber (Uppsala University) for access to an X-ray diffractometer. This project made use of the NMR Uppsala infrastructure, which is funded by the Department of Chemistry - BMC and the Disciplinary Domain of Medicine and Pharmacy. OBB and DAD acknowledge support by the Center for Biomolecular Structure and Dynamics CoBRE (NIH NIGMS grant P20GM103546). The X-ray crystallographic data for Ag-PF4 were collected using a Bruker D8 Venture, principally supported by NSF MRI CHE-1337908.

Funders	Funder number
Center for Biomolecular Structure and Dynamics
P20GM103546
MRI CHE-1337908
F2020-0003
2017-01173
2016-03602

Keywords

Counterion
Halonium ion
Three-center halogen bond

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10.1246/BCSJ.20200274

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title = "Halogen bonds of iodonium ions: A world dissimilar to silver coordination",

abstract = "A distinct difference between the three-center halogen bond and the analogous three-center coordinative bond of silver is demonstrated by computational, X-ray crystallographic and solution NMR spectroscopic investigations of their complexes with a bidentate Lewis base. Iodine(I) preferentially forms an entropically favored monomeric complex, whereas silver(I) forms enthalpically favored dimeric complexes. Counterion coordination considerably influences the structure of the silver complexes in the solution and solid state, whereas it does not have notable effect on the analogous halogen bond.",

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T2 - A world dissimilar to silver coordination

AU - Turunen, Lotta

AU - Németh, Flóra Boróka

AU - Decato, Daniel A.

AU - Pápai, Imre

AU - Berryman, Orion B.

AU - Erdélyi, Máté

PY - 2021

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AB - A distinct difference between the three-center halogen bond and the analogous three-center coordinative bond of silver is demonstrated by computational, X-ray crystallographic and solution NMR spectroscopic investigations of their complexes with a bidentate Lewis base. Iodine(I) preferentially forms an entropically favored monomeric complex, whereas silver(I) forms enthalpically favored dimeric complexes. Counterion coordination considerably influences the structure of the silver complexes in the solution and solid state, whereas it does not have notable effect on the analogous halogen bond.

KW - Counterion

KW - Halonium ion

KW - Three-center halogen bond

UR - https://www.scopus.com/pages/publications/85099182611

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EP - 196

JO - Bulletin of the Chemical Society of Japan

JF - Bulletin of the Chemical Society of Japan

IS - 1

ER -

Halogen bonds of iodonium ions: A world dissimilar to silver coordination

Abstract

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Keywords

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