Unusual two‐bond 
            13C,
            13C coupling constants in sulphones

Christoph Rücker; Hans Fritz

doi:10.1002/mrc.1260261213

Unusual two‐bond ¹³C, ¹³C coupling constants in sulphones

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Unusual two‐bond ¹³C, ¹³C coupling constants in sulphones. / Rücker, Christoph; Fritz, Hans.
In: Magnetic Resonance in Chemistry, Vol. 26, No. 12, 01.12.1988, p. 1103-1108.

Research output: Journal contributions › Journal articles › Research › peer-review

Bibtex

@article{67c59a18c2864bb4b0a4c0ce84f7d45e,

title = "Unusual two‐bond 13C, 13C coupling constants in sulphones",

abstract = "A measurable coupling between carbon atoms through the SO2 group is observed in a series of structurally diverse sulphones. In open‐chain (single coupling path) sulphones this 2J coupling ranges from 5.5 to 27.2 Hz, while in cyclic (multiple coupling path) sulphones values ranging from 4.3 to 21.6 Hz are observed. Sulphides and sulphoxides do not exhibit a corresponding coupling of comparable magnitude. A positive sign for this coupling is derived from the data of cyclic sulphones. Whereas substituents and branching at the coupling termini exert minor influences on the coupling, the most important factor determining the magnitude of the 2J(CSC) coupling is the hybridization of the coupling carbon atoms. A linear relationship between the 2J value and the s character product of the CS bond forming C orbitals is estalished. Copyright {\textcopyright} 1988 John Wiley & Sons, Ltd.",

keywords = "Chemistry, C NMR, Geminal C, C coupling, Sulphones",

author = "Christoph R{\"u}cker and Hans Fritz",

year = "1988",

month = dec,

day = "1",

doi = "10.1002/mrc.1260261213",

language = "English",

volume = "26",

pages = "1103--1108",

journal = "Magnetic Resonance in Chemistry",

issn = "1097-458X",

publisher = "John Wiley & Sons Ltd.",

number = "12",

}

RIS

TY - JOUR

T1 - Unusual two‐bond 13C, 13C coupling constants in sulphones

AU - Rücker, Christoph

AU - Fritz, Hans

PY - 1988/12/1

Y1 - 1988/12/1

N2 - A measurable coupling between carbon atoms through the SO2 group is observed in a series of structurally diverse sulphones. In open‐chain (single coupling path) sulphones this 2J coupling ranges from 5.5 to 27.2 Hz, while in cyclic (multiple coupling path) sulphones values ranging from 4.3 to 21.6 Hz are observed. Sulphides and sulphoxides do not exhibit a corresponding coupling of comparable magnitude. A positive sign for this coupling is derived from the data of cyclic sulphones. Whereas substituents and branching at the coupling termini exert minor influences on the coupling, the most important factor determining the magnitude of the 2J(CSC) coupling is the hybridization of the coupling carbon atoms. A linear relationship between the 2J value and the s character product of the CS bond forming C orbitals is estalished. Copyright © 1988 John Wiley & Sons, Ltd.

AB - A measurable coupling between carbon atoms through the SO2 group is observed in a series of structurally diverse sulphones. In open‐chain (single coupling path) sulphones this 2J coupling ranges from 5.5 to 27.2 Hz, while in cyclic (multiple coupling path) sulphones values ranging from 4.3 to 21.6 Hz are observed. Sulphides and sulphoxides do not exhibit a corresponding coupling of comparable magnitude. A positive sign for this coupling is derived from the data of cyclic sulphones. Whereas substituents and branching at the coupling termini exert minor influences on the coupling, the most important factor determining the magnitude of the 2J(CSC) coupling is the hybridization of the coupling carbon atoms. A linear relationship between the 2J value and the s character product of the CS bond forming C orbitals is estalished. Copyright © 1988 John Wiley & Sons, Ltd.

KW - Chemistry

KW - C NMR

KW - Geminal C, C coupling

KW - Sulphones

UR - http://www.scopus.com/inward/record.url?scp=84989046139&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/5d0247d6-0fed-3013-b742-9540429536a1/

U2 - 10.1002/mrc.1260261213

DO - 10.1002/mrc.1260261213

M3 - Journal articles

VL - 26

SP - 1103

EP - 1108

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

SN - 1097-458X

IS - 12

ER -

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Rücker, C., Meringer, M. & Wassermann, A., 13.04.2021, In: Journal of Chemical Education. 98, 4, p. 1465-1467 3 p.

Research output: Journal contributions › Comments / Debate / Reports › Research

Octanol-Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Cumming, H. & Rücker, C., 30.09.2017, In: ACS Omega. 2, 9, p. 6244-6249 6 p.

Research output: Journal contributions › Journal articles › Research › peer-review

DOI

https://doi.org/10.1002/mrc.1260261213
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Unusual two‐bond ¹³C, ¹³C coupling constants in sulphones

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