Substituent effect study on the experimental 13C NMR chemical shifts of 3-(substituted phenyl)-3a,4,8,8a-tetrahydro-1,3-dioxepino[5,6-d] [1,2] isoxazoles

Kara, Yesim S.; Yalduz, Sümeyye

doi:10.1016/j.molstruc.2019.04.121

Cited by 13 publications

(2 citation statements)

References 51 publications

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“…New peaks of about 150 and 60 ppm in the TA/ n -propylamine spectrum are attributed to the formation of CN and C–NH, suggesting the reaction between TA and n -propylamine. 31 These results prove that TA/APTES cross-linked networks are successfully modified on the membrane surface facing the deposition solution to form Janus wettability. The binding energy peaks of 398.78 eV and 532.40 eV can be assigned to –NH 3 and –OH groups in the deposited networks on the membrane surfaces (Fig.…”

Section: Resultssupporting

confidence: 53%

Janus membranes with asymmetric cellular adhesion behaviors for regenerating eardrum perforation

Zhu

et al. 2022

J. Mater. Chem. B

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Section: Resultssupporting

confidence: 53%

Janus membranes with asymmetric cellular adhesion behaviors for regenerating eardrum perforation

Zhu

et al. 2022

J. Mater. Chem. B

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“…For example, to explore how change of the substituents in organic molecules affect electron transfer in conjugated systems, the measuring 13 C NMR δ C is an effective method. [ 1–10 ] Kleinpeter et al [ 1–4 ] used 13 C NMR chemical shift δ C to study the push‐pull effect of substituents in conjugated systems and discussed in detail the relationship between the chemical shift difference Δ δ C and the push‐pull effect of substituent, which deepened the push‐pull effect nature understanding.…”

Section: Introductionmentioning

confidence: 99%

Influence of substituent and push‐pull effect on the chemical shifts of the carbon in bridging bond of 1‐furyl/thienyl‐2‐arylethylene

Cao

Yan

2020

J of Physical Organic Chem

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Sixty‐six samples of 1‐furyl/thienyl‐2‐arylethylene model compounds XCHCHArY (abbreviated XEBY) were synthesized. The nuclear magnetic resonance spectra (NMR) of model compounds were determined. The chemical shift δC(X) and δC(Y) of the carbon atoms in bridging bond CHCH which connected to the X group and the ArY group, respectively, were confirmed with the two‐dimensional NMR method. The effect of substituent on the δC(X) and δC(Y) was studied, meanwhile, the push‐pull effect of substituent on ΔδC = δC(Y) − δC(X) and δC(Y/X) = δC(Y)/δC(X) were discussed. The results show the following: (a) Both the δC(X) and δC(Y) are affected by excited‐state substituent constant σCCex()X of group X, Hammett constant σ(Y), and excited‐state substituent constant 0.25emσCCex()Y of group Y. The effect of σ(Y) on the δC(X) is positive, whereas that on the δC(Y) is negative. That is to say, the σ(Y) of group Y has an alternative influence on the δC(X) and δC(Y). (b) Compared with furyl, there is a p‐d effect formed by the 3d orbit of S atom and the p electron of the π system in thienyl, which increase the chemical shift of the carbon atoms in bridging bond. (c) The push‐pull effect between substituent X and Y is not only affected by the σ parameter but also related to the σCCex parameter, which results from the combined effect of the two parameters σ and σCCex. The observation of this paper provides a new perspective in understanding the push‐pull effect of substituent.

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Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies

Mary¹,

Mary²,

Resmi

et al. 2021

J Mol Model

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Substituent effect study on the experimental 13C NMR chemical shifts of 3-(substituted phenyl)-3a,4,8,8a-tetrahydro-1,3-dioxepino[5,6-d] [1,2] isoxazoles

Cited by 13 publications

References 51 publications

Janus membranes with asymmetric cellular adhesion behaviors for regenerating eardrum perforation

Janus membranes with asymmetric cellular adhesion behaviors for regenerating eardrum perforation

Influence of substituent and push‐pull effect on the chemical shifts of the carbon in bridging bond of 1‐furyl/thienyl‐2‐arylethylene

Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies

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