The characteristic bands of the stretching vibrations of the nitro group in infrared absorption

Iogansen, A. V.; Litovchenko, G. D.

doi:10.1007/bf00614645

Cited by 9 publications

(9 citation statements)

References 9 publications

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“…% 1300-1400 and 1500-1600 cm À1 ). [22] Another considered advantage of the presence of the nitro group is its very strong negative mesomeric and inductive effect (-M,-I)which are believed to increase the reactivity of the benzylic carbon in SN 2 reactions.Onthe other hand, the disadvantages of the nitro group include its possible behavior as al eaving group when attached to aphenyl ring [23] as well as its susceptibility to be reduced with naphthalenides [24] (arenides in general). In addition, the nitro group can be cleaved off the phenyl ring upon exposure to an X-ray beam as described by La and coworkers, [25] thus affecting the results of the N1 sr egion XPS analysis.…”

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confidence: 99%

Alkali Metal Arenides as a Universal Synthetic Tool for Layered 2D Germanene Modification

et al. 2019

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The rediscovery of graphene in 2004 has started an enormous chase in the researchof2Dmaterials.Anew family of layered 2D materials consisting of the 14th group elements beyond carbon has already been reported. Here,anew methodology in germanene chemistry is presented using germanane (Ge 6 H 6 )a sastable and easily accessible starting material for effective synthesis of novel germanene derivatives. The modification procedure utilizing strong bases-alkali metal arenides-for deprotonation of germanane and its subsequent functionalization with p-nitrobenzyl bromide is described. Functionalization of germanene is confirmed by FT-IR, Raman, and XPS spectroscopya sw ell as by X-ray diffraction analysis. Figure 6. The TEM image of functionalized germananes ample.T he insert shows SAED image of flake and bottom image shows highresolution TEM image.

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confidence: 99%

Alkali Metal Arenides as a Universal Synthetic Tool for Layered 2D Germanene Modification

et al. 2019

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“…Turning to the case of Mol2, we notice in the computed IR spectrum of the E form the much‐reduced relative intensity of the band at 1514 cm −1 which is assigned to the asymmetric stretching of the aromatic nitro group [39] . In the Z form, the spectrum becomes simpler and the agreement of the calculation with the experiment is much better.…”

Section: Resultsmentioning

confidence: 82%

Structural and Spectroscopic Properties of Benzoylpyridine‐Based Hydrazones

et al. 2021

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Photochromic hydrazones are attracting the attention in the field of photochromic systems especially due to their P‐type character. To understand the structural features and their correlation with the spectroscopic data, UV‐Vis, vibrational and ellipsometry spectroscopic techniques are employed with the support of density functional theory (DFT) calculations to three hydrazone derivatives based on benzoylpyridine. Interestingly, analysis of the structure shows the presence of two distinct rotamers around the pyridine ring with different energy and the well‐defined conjugation path that changes due to E to Z isomerization especially in the hydrazone −C=N−NH part of the skeleton. IR and Raman spectra are analyzed, showing a higher selectivity in the Z form; moreover, the comparison with the normal modes proves the effect of the reaction on the backbone structure. The experimental results are in good agreement with the theoretical predictions, especially in the case of the Raman spectrum. The molecular polarization also changes from E to Z forms as predicted by DFT calculations. Spectroscopic ellipsometry on thin films of TOPAS doped with 10 %wt of the dimethylamino hydrazone derivative is used to prove such change at the molecular level. A modulation of the refractive index is observed, and it is correlated with the concentration of the active moiety and the calculated electronic polarizabilities.

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“…In particular, in the first stage we have analysed its IR spectrum. Absorption bands typical of the NO 2 group [ 28 ] and pyrazoline ring [ 29 ] were identified in the IR spectrum. Next, on the 1 H NMR spectrum, independently of signals of aryl rings, we detected two doublets at 5.87 ppm and 6.58 ppm, which can be interpreted as signals from two vicinal protons of pyrazoline ring (H4 and H5, respectively).…”

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confidence: 99%

Experimental and Theoretical Mechanistic Study on the Thermal Decomposition of 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline

et al. 2021

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The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an experimental and theoretical studies of thermal decomposition of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline were performed. It was found, that the decompositions of the mentioned pyrazoline system in the solution and at the melted state proceed via completely different molecular mechanisms. These mechanisms have been explained in the framework of the Molecular Electron Density Theory (MEDT) with the computational level of B3LYP/6-31G(d). A Bonding Evolution Theory (BET) examination of dehydrochlorination of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline permits elucidation of the molecular mechanism. It was found, that on the contrary for most known HCl extrusion processes in solution, this reaction is realised via single-step mechanism.

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The characteristic bands of the stretching vibrations of the nitro group in infrared absorption

Cited by 9 publications

References 9 publications

Alkali Metal Arenides as a Universal Synthetic Tool for Layered 2D Germanene Modification

Alkali Metal Arenides as a Universal Synthetic Tool for Layered 2D Germanene Modification

Structural and Spectroscopic Properties of Benzoylpyridine‐Based Hydrazones

Experimental and Theoretical Mechanistic Study on the Thermal Decomposition of 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline

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