<sup>1</sup>H and <sup>13</sup>C NMR studies on mono‐ and polybrominated biphenyls

Anklam, Elke

doi:10.1002/mrc.1260270517

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1993

2023

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Cited by 8 publications

(1 citation statement)

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“…The authors have cited additional references within the Supporting Information (Ref. [37][38][39][40][41][42]).…”

Section: Supporting Informationmentioning

confidence: 99%

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Khomutetckaia,

Hildebrandt,

Ehlers

et al. 2023

Eur J Org Chem

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The incorporation of heteroatoms into polycyclic aromatic hydrocarbons (PAHs) has been recognized as valuable tool to alter their inherent optical and electrochemical properties and are thought as promising next‐generation semiconductor materials. We herein report the synthesis of diindenopyrene, a fragment of C70 and two of its nitrogen‐doped aza‐analogs. The developed synthetic procedure is based on Brønsted‐acid‐mediated cycloisomerization followed by Pd‐catalyzed C−H‐activation as key‐steps. The impact of N‐doping on the optical and electrochemical properties has been studied and the experimental results are supported by DFT calculations.

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“…The authors have cited additional references within the Supporting Information (Ref. [37][38][39][40][41][42]).…”

Section: Supporting Informationmentioning

confidence: 99%

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Khomutetckaia,

Hildebrandt,

Ehlers

et al. 2023

Eur J Org Chem

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Pair‐induced chemical shifts (pairwise corrections) and an additivity scheme for the estimation of aromatic ¹H NMR shifts in polysubstituted benzenes with two or more vicinal substituents

Guy

1993

Magnetic Reson in Chemistry

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The aromatic 1H NMR shifts of ortho‐disubstituted benzenes were used to derive 285 pair‐induced chemical shifts (pairwise corrections) for vicinal pairs of the substituent set (F, Cl, Br, I, NH2, NHCOMe, NO2, OH, OMe, Me, CHO, COMe, CN, Ph). Using these parameters and a simple additivity scheme, 617 ring 1H shifts in polysubstituted benzenes with two or more vicinal substituents were reliably predicted with an average standard deviation of 0.08 ppm.

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C12H4Br6

Mikhova

Landolt-Börnstein - Group III Condensed Matter

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¹H and ¹³C NMR studies on mono‐ and polybrominated biphenyls

Abstract: The 400 MHz 1H and 13C NMR parameters of 15 mono‐ and polybrominated biphenyls were determined and compared with those of the corresponding chlorinated biphenyls.

Cited by 8 publications

References 9 publications

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Pair‐induced chemical shifts (pairwise corrections) and an additivity scheme for the estimation of aromatic ¹H NMR shifts in polysubstituted benzenes with two or more vicinal substituents

C12H4Br6

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1H and 13C NMR studies on mono‐ and polybrominated biphenyls

Abstract: The 400 MHz 1H and 13C NMR parameters of 15 mono‐ and polybrominated biphenyls were determined and compared with those of the corresponding chlorinated biphenyls.

Cited by 8 publications

References 9 publications

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Synthesis and Properties of Diindeno[1,2,3‐cd:1′,2′,3′‐mn]pyrene and Two of Its Aza‐Analogs

Pair‐induced chemical shifts (pairwise corrections) and an additivity scheme for the estimation of aromatic 1H NMR shifts in polysubstituted benzenes with two or more vicinal substituents

C12H4Br6

Contact Info

Product

Resources

About

¹H and ¹³C NMR studies on mono‐ and polybrominated biphenyls

Pair‐induced chemical shifts (pairwise corrections) and an additivity scheme for the estimation of aromatic ¹H NMR shifts in polysubstituted benzenes with two or more vicinal substituents