Structural, spectroscopic properties ant prospective application of a new nitropyridine amino N-oxide derivative: 2-[(4-nitropyridine-3-yl)amino] ethan-1-ol N-oxide

被引：1

作者：

Godlewska, Patrycja ^{[1
]}

Sasiadek, Wojciech ^{[1
]}

Kucharska, Edyta ^{[1
]}

Ropuszynska-Robak, Paulina ^{[1
]}

Dyminska, Lucyna

Janczak, Jan ^{[2
]}

Lisiecki, Radoslaw ^{[2
]}

Ptak, Maciej ^{[2
]}

Hanuza, Jerzy ^{[2
]}

机构：

[1] Wroclaw Univ Econ & Business, Fac Prod Engn, Dept Bioorgan Chem, Komandorska 118-120, PL-53345 Wroclaw, Poland

[2] Polish Acad Sci, Inst Low Temp & Struct Res, Div Opt Spect, Okolna 2, PL-50950 Wroclaw, Poland

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2024年 / 305卷

关键词：

Pyridine amino N-oxide; Vibrational properties; Electron absorption; Excitation spectra; Luminescence; Effects of femtosecond laser excitation; Energy transfer mechanism; EXCITED ELECTRONIC STATES; C-13; NMR-SPECTRA; LANTHANIDE COMPLEXES; VIBRATIONAL-SPECTRA; X-RAY; INTERMOLECULAR INTERACTIONS; PYRIDINE-DERIVATIVES; CRYSTAL-STRUCTURE; IR; RAMAN;

D O I：

10.1016/j.saa.2023.123426

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

A new nitropyridine amino N-oxide derivative 2-[(4-nitropyridine-3-yl)amino]ethan-1-ol N-oxide was synthesized and its structural and optical properties were described. Its structure obtained from the X-ray diffraction (XRD) studies was related to the Infrared spectroscopy (IR), Raman spectroscopy (RS), electron Ultraviolet-Visible spectroscopy (UV-VIS) and emission spectra measurements. The experimental results were analyzed in terms of theoretical data obtained from quantum chemical Density Functional Theory (DFT) and Natural Bond Orbital (NBO) calculations. The 6-311G(2d,2p) basis set with the B3LYP functional was used to discuss its optimized structure and vibrational properties. Femtosecond excitation was used to recognize the depopulation mechanism of the electron excited states in the studied compound. It was found that the intermolecular interactions strongly influence the physicochemical properties and application of the new nitropyridine amino N-oxide derivative.

引用

页数：13

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