Vibrational spectroscopic and DFT calculation studies of 2-amino-7-bromo-5-oxo-[1] benzopyrano [2, 3-b] pyridine-3 carbonitrile
The vibrational spectra of 2-amino-7-bromo-5-oxo-[1] benzopyrano [2, 3-b] pyridine-3
carbonitrile were recorded using fourier transform-infrared and fourier transform-Raman …
carbonitrile were recorded using fourier transform-infrared and fourier transform-Raman …
Synthesis, antimicrobial activity, structural and spectral characterization and DFT calculations of Co (II), Ni (II), Cu (II) and Pd (II) complexes of 4-amino-5 …
TA Mohamed, IA Shaaban, RS Farag… - … Acta Part A: Molecular …, 2015 - Elsevier
Abstract Co (II), Ni (II), Cu (II) and Pd (II) complexes of 4-amino-5-pyrimidinecarbonitrile
(APC) have been synthesized and characterized using elemental analysis, magnetic …
(APC) have been synthesized and characterized using elemental analysis, magnetic …
2‐Hydroxy‐5‐nitropyridine and 5‐nitro‐2‐pyridone: Tautomerism, infrared, Raman, and NMR spectral interpretations, normal coordinate analysis, and DFT …
Abstract Raman (3700–50 cm− 1) and infrared (IR)(4000–230 cm− 1) spectra of 2‐hydroxy‐
5‐nitropyridine (HNP; C5H4N2O3) have been recorded in the solid phase in addition to 1H …
5‐nitropyridine (HNP; C5H4N2O3) have been recorded in the solid phase in addition to 1H …
Exploring structure, molecular interactions, optical and thermal properties of Bis (2-Aminopyrimidinium) selenate monohydrate: A combined experimental and …
V Vijayalakshmi, N Sivakumar, VA Alsulmi… - Optical Materials, 2024 - Elsevier
Single crystals of bis (2-aminopyrimidinium) selenate monohydrate were obtained by slow
evaporation at ambient temperature from a dilute solution of selenic acid mixed with a hot …
evaporation at ambient temperature from a dilute solution of selenic acid mixed with a hot …
Raman, ATRIR and NMR spectra, conformational stability, vibrational assignments, normal coordinates analysis and DFT calculations of hydrochlorothiazide drug
AA Omran, WM Zoghaib, HA Gomaa… - Journal of Molecular …, 2024 - Elsevier
Abstract The Raman (4000-50 cm− 1), attenuated total reflectance (ATR) infrared (4000-400
cm− 1) spectra of Hydrochlorothiazide (C 7 H 8 ClN 3 O 4 S 2; HCTZ) have been recorded in …
cm− 1) spectra of Hydrochlorothiazide (C 7 H 8 ClN 3 O 4 S 2; HCTZ) have been recorded in …
Thiadiazole-2-thiol-5-thione and 2, 5-dimercapto-1, 3, 4-thiadiazol tautomerism, conformational stability, vibrational assignments, inhibitor efficiency and quantum …
MH Esmaiel, HA Basuony, MK Al-Nawasany… - Zeitschrift für …, 2020 - degruyter.com
Abstract Raman (3700–100 cm− 1) and infrared (4000–400 cm− 1) spectra of 2, 5-
Dimercapto-1, 3, 4-thiadiazol (DMTD) were recorded in the solid phase. Six structures (1–6) …
Dimercapto-1, 3, 4-thiadiazol (DMTD) were recorded in the solid phase. Six structures (1–6) …
Infrared, Raman and NMR spectral analysis, vibrational assignments, normal coordinate analysis, and quantum mechanical calculations of 2-Amino-5-ethyl-1, 3, 4 …
Abstract Raman (3500− 55 cm− 1) and infrared (4000–300 cm− 1) spectra of 2-Amino-5-
ethyl-1, 3, 4-thiadiazole (AET; C 4 H 7 N 3 S) have been recorded in the solid phase. In …
ethyl-1, 3, 4-thiadiazole (AET; C 4 H 7 N 3 S) have been recorded in the solid phase. In …
Raman and infrared spectra, normal coordinate analysis and ab initio calculations of 4-Amino-2-chloropyrimidine-5-carbonitrile
The present work reports an experimental and theoretical study of molecular structure of 4-
Amino-2-chloropyrimidine-5-carbonitrile (ACPC) in solid phase. Raman and infrared (IR) …
Amino-2-chloropyrimidine-5-carbonitrile (ACPC) in solid phase. Raman and infrared (IR) …
Computational studies, NMR, Raman and infrared spectral analysis of centrosymmetric (2Z, 4Z)-Hexa-2, 4-dienedinitrile
The Raman (50–3500 cm− 1) and infrared (200–3500 cm− 1) spectra of (2Z, 4Z)-Hexa-2, 4-
dienedinitrile (C6H4N2; cis, cis-HDDN) have been recorded. Initially, three conformers were …
dienedinitrile (C6H4N2; cis, cis-HDDN) have been recorded. Initially, three conformers were …
Regioselective cyclization reaction of 2-imino-2H-chromene-3-carboxamide with triethyl phosphonoacetate; a combined spectral and computational studies
The regioselectivity for cyclization reaction of 2-imino-2H-chromene-3-carboxamide with
triethyl phosphonoacetate was investigated by means of quantum mechanical calculation …
triethyl phosphonoacetate was investigated by means of quantum mechanical calculation …