Vibrational spectral studies of 2-amino-4,6-dimethyl- and 4-amino-2,6-dimethylpyrimidines

Ahmad, S.; Sharma, Sangeeta; Isaq, M.

doi:10.1016/0584-8539(96)01679-0

Cited by 4 publications

(3 citation statements)

References 14 publications

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“…e ](C�N) spectra appear as two bands at 1,574-1,577 and 1,648-1,653 cm −1 compared to the free bond (1,570 cm −1 ); these changes indicate the unequal mode of the N-atoms of the heterogeneous cycle in the compound, which indicates that the coordination mode is monodentate [53,55]. Also, ](C�C) and ](C-N) bands appear at 1,476-1,478 cm −1 and 1,317-1,320 cm −1 , respectively [53]. ese results are consistent with the coordination of ADMPY through the heterocycle nitrogen atom in complexes.…”

Section: Infrared Spectramentioning

confidence: 99%

“…e δ(O-C-O) in-plane appears vibration at 728-748 cm −1 [52]. Furthermore, the frequencies of asym (NH 2 ), sym (NH 2 ), (NH 2 ), and C-NH 2 occurring in free ADMPY at 3,312, 3,391, 1,628, and 1,250 cm −1 , respectively, were found to have no shift in all complexes; this indicates that the amino group does not participate in the bonding [53,54]. e ](C�N) spectra appear as two bands at 1,574-1,577 and 1,648-1,653 cm −1 compared to the free bond (1,570 cm −1 ); these changes indicate the unequal mode of the N-atoms of the heterogeneous cycle in the compound, which indicates that the coordination mode is monodentate [53,55].…”

Section: Infrared Spectramentioning

confidence: 99%

“…ese results are consistent with the coordination of ADMPY through the heterocycle nitrogen atom in complexes. e stretching vibration of ](CH 3 ) for all complexes appeared at 2,985-2,989 cm −1 [53]. e spectra of complexes also showed bands in the 3,438-3,447 and 505-510 cm −1 range, which is attributed to ]OH in lattice and wagging water, respectively [52].…”

Section: Infrared Spectramentioning

confidence: 99%

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Nd2O3, Cr2O3, and V2O3 Nanoparticles via Calcination: Synthesis, Characterization, Antimicrobial and Antioxidant Activities

Al-Fakeh

Al-Otaibi

2022

Journal of Nanotechnology

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Nd2O3, Cr2O3, and V2O3 nanoparticles were prepared by calcining the precursor materials that are novel mixed ligand complexes: [Nd(BDC)(ADMPY)(OAc)].H2O, [Cr(BDC)(ADM PY)Cl].H2O, and [V(BDC)(ADMPY)Cl].H2O, where BDC = 1,4-benzenedicarboxylic acid and ADMPY = 2-amino-4,6-dimethyl pyrimidine. The generated compounds were examined through several techniques such as elemental analysis (C.H.N), UV-Vis spectroscopy, thermal analysis (thermogravimetric, differential thermogravimetry, and differential thermal analysis), FT-IR spectra, X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM). The TEM micrographs showed that neodymium oxide nanoparticles assumed agglomerated platelet-like particles, with particle sizes around 30.16 nm, while chromium oxide NPs showed solid block material with compact density and fewer pores with nearly spherical shape and 56.12 nm size. The vanadium oxide NPs were an agglomeration of small spherical nanoparticles of 28.4 nm size. The antimicrobial properties of the samples were assessed using two strains of Gram-positive bacteria, two strains of Gram-negative bacteria, and one strain of yeast. The antimicrobial results demonstrated that a large spectrum of activity characterizes the tested compounds because they are active on Gram-positive and Gram-negative bacteria, especially on Gram-positive strains. The antioxidant activity of prepared compounds was assessed by scavenging free radicals of DPPH. Metal oxide NPs also showed promising results as antioxidants.

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Section: Infrared Spectramentioning

confidence: 99%

Section: Infrared Spectramentioning

confidence: 99%

Section: Infrared Spectramentioning

confidence: 99%

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Nd2O3, Cr2O3, and V2O3 Nanoparticles via Calcination: Synthesis, Characterization, Antimicrobial and Antioxidant Activities

Al-Fakeh

Al-Otaibi

2022

Journal of Nanotechnology

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Effect of protonation and hydrogen bonding on 2, 4, 6-substituted pyrimidine and its salt complex-experimental and theoretical evidence

Pillai¹,

Chellapan²

2014

J Mol Model

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Quantum molecular simulations of chemical systems can provide detailed information that is often inaccessible to direct experimental measurement. Pyrimidine is an interesting π-electron heterocyclic aromatic system which acts as the building block of many nucleic acid bases. The hydrogen bonds associated with the 2, 4, and 6-substituted pyrimidine and its hydrogen sulfate anion are considered for this current work. The experimental and computational evidence for the strength of these intra and intermolecular hydrogen are determined using vibrational spectra and quantum chemical calculations. Thus the effect of hydrogen bonding on the title compound is studied using its geometrical parameters, interaction energies, and vibrational spectra. Aromaticity and charge transfer studies have been performed to ascertain the aromatic behavior of the molecule. The PES scan studies have been done by varying the bond length to ascertain the protonation process of the compound. The IR spectral red shift (∼100 cm⁻¹), blue shift (∼97 cm⁻¹) and broadening of the polar stretching peaks shows the inter and intramolecular hydrogen bonding strength. Bond length alternation of proton donors along with the enormous interaction energies (∼0.5-150 kJ mol⁻¹) between the lone pair and proton donors provides clear evidence for this hydrogen bonding. The charge transfer due to the methyl substitutions which enhances the possibility of hydrogen bonding has been discussed. The main scope of this work is to study the protonation and hydrogen bonding associated with charge transfer which has great effect on the 2-amino-4, 6-dimethyl pyrimidinium hydrogen sulfate (ADHS) molecule.

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Self-assembly of cellulose nanocrystals on flexible fabric via a metal coordination strategy for versatile applications

Fan

Liu

Zhao

et al. 2023

Progress in Organic Coatings

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Vibrational spectral studies of 2-amino-4,6-dimethyl- and 4-amino-2,6-dimethylpyrimidines

Cited by 4 publications

References 14 publications

Nd2O3, Cr2O3, and V2O3 Nanoparticles via Calcination: Synthesis, Characterization, Antimicrobial and Antioxidant Activities

Nd2O3, Cr2O3, and V2O3 Nanoparticles via Calcination: Synthesis, Characterization, Antimicrobial and Antioxidant Activities

Effect of protonation and hydrogen bonding on 2, 4, 6-substituted pyrimidine and its salt complex-experimental and theoretical evidence

Self-assembly of cellulose nanocrystals on flexible fabric via a metal coordination strategy for versatile applications

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