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Year 2020, Volume: 41 Issue: 4, 916 - 928, 29.12.2020

Lana Ahmed , Rebaz Omer

https://doi.org/10.17776/csj.762184
Cited By: 19

Abstract

References

  • [1] Sehrawat, R., et al., Technological interventions in the processing of fruits and vegetables. 2018.
  • [2] Abbas, S., et al., Ascorbic acid: microencapsulation techniques and trends—a review, Food Reviews International, 28 (2012) 343-374.
  • [3] Iqbal, K., A. Khan, and M. Khattak, Biological significance of ascorbic acid (vitamin C) in human health-a review, Pakistan Journal of Nutrition, 3 (2004) 5-13.
  • [4] Carr, A.C. and S. Maggini, Vitamin C and immune function, Nutrients, 9 (2017) 1211.
  • [5] Segal, A.W., How neutrophils kill microbe,. Annu. Rev. Immunol., 23 (2005) 197-223.
  • [6] Hemilä, H., Vitamin C and infections, Nutrients, 9 (2017) 339.
  • [7] LeBlanc, J., et al., Studies on acclimatization and on the effect of ascorbic acid in men exposed to cold, Canadian journal of biochemistry and physiology, 32 (1954) 407-427.
  • [8] Dugal, L.P., Vitamin C in relation to cold temperature tolerance, Annals of the New York Academy of Sciences, 92 (1961) 307-317.
  • [9] Strydom, N., et al., Effect of ascorbic acid on rate of heat acclimatization, Journal of Applied Physiology, 41 (1976) 202-205.
  • [10] Chang, C.-Y., et al., Therapeutic treatment with ascorbate rescues mice from heat stroke-induced death by attenuating systemic inflammatory response and hypothalamic neuronal damage,. Free Radical Biology and Medicine, 93 (2016) 84-93.
  • [11] Hemilä, H., Do vitamins C and E affect respiratory infections? (2006).
  • [12] Hemilä, H., Vitamin C and the common cold, British Journal of nutrition, 67 (1992) 3-16.
  • [13] Beisel, W.R., Single nutrients and immunity., Army Medical Research Inst. of Infectious Diseaes Fort Detrick MD, 1982
  • [14] Manning, J., et al., Vitamin C promotes maturation of T-cells, Antioxidants & redox signaling, 19 (2013) 2054-2067.
  • [15] Webb, A.L. and E. Villamor, Update: effects of antioxidant and non-antioxidant vitamin supplementation on immune function, Nutrition reviews, 65 (2007) 181-217.
  • [16] Lupulescu, A., Hormones and vitamins in cancer treatment. 1990.
  • [17] Lupulescu, A., The role of vitamins A, beta-carotene, E and C in cancer cell biology, International Journal for Vitamin and Nutrition Research., 64 (1994) 3-14.
  • [18] Walingo, K., Role of vitamin C (ascorbic acid) on human health-a review, African Journal of Food, Agriculture, Nutrition and Development, 5 (2005).
  • [19] Devaki, S.J. and R.L. Raveendran, Vitamin C: sources, functions, sensing and analysis, in Vitamin C. 2017.
  • [20] Saul, A.W., Nutritional treatment of coronavirus. Orthomolecular Medicine News Service, 16 (2020) 22.
  • [21] Verma, K.K., et al., Solid-phase extraction cleanup for determining ascorbic acid and dehydroascorbic acid by titration with 2, 6-dichlorophenolindophenol. Journal of AOAC international, 79 (1996) 1236-1243.
  • [22] Wu, X., et al., Fluorimetric determination of ascorbic acid with o-phenylenediamine, Talanta, 59 (2003) 95-99.
  • [23] Khan, M.R., et al., A simple UV-spectrophotometric method for the determination of vitamin C content in various fruits and vegetables at Sylhet area in Bangladesh, J. Biol. Sci, 6 (2006) 388-392.
  • [24] De Leenheer, A.P. and W. Lambert, Modern chromatographic analysis of vitamins, Revised and expanded. 84. 2000.
  • [25] Casella, L., et al., Rapid enzymatic method for vitamin C assay in fruits and vegetables using peroxidase, Journal of Food Science, 54 (1989) 374-375.
  • [26] Ensafi, A.A., B. Rezaei, and H. Movahedinia, Kinetic–spectrophotometric determination of ascorbic acid by inhibition of the hydrochloric acid–bromate reaction, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 58 (2002) 2589-2594.
  • [27] Safavi, A. and L. Fotouhi, Kinetic spectrophotometric determination of ascorbic acid by reduction of toluidine blue, Talanta, 41 (1994) 1225-1228.
  • [28] Ardalan, T., P. Ardalan, and M. Monajjemi, Nano Theoretical Study of a C16 Cluster as a Novel Material for Vitamin C Carrier, Fullerenes, Nanotubes and Carbon Nanostructures, 22 (2014) 687-708.
  • [29] Harismah, K., et al., Adsorption of vitamin C on a fullerene surface: DFT studies, Journal of Nanoanalysis, 4 (2017) 1-7.
  • [30] Jiang, L., M. Li, and Y. Liu. Terahertz spectra of vitamins studied by terahertz spectroscopy and density functional theory. in 26TH International Symposium on Space Terahertz Technology. 2015.
  • [31] Demianenko, E., et al., A theoretical study on ascorbic acid dissociation in water clusters, Journal of molecular modeling, 20 (2014) 2128.
  • [32] Jiang, L., et al., Terahertz spectra of L-ascorbic acid and thiamine hydrochloride studied by terahertz spectroscopy and density functional theory, Journal of Infrared, Millimeter, and Terahertz Waves, 35 (2014) 871-880.
  • [33] Hou, X., et al., Ascorbic acid induced atrazine degradation, Journal of hazardous materials, 327 (2017) 71-78.
  • [34] Yamabe, S., et al., Frontier orbitals and transition states in the oxidation and degradation of l-ascorbic acid: a DFT study, Organic & biomolecular chemistry, 13 (2015) 4002-4015.
  • [35] Yuan, Y. and R.-N. Zhao, Geometries and stabilities of l-ascorbic acid dimer and its derivatives: a computational investigation by density functional methods, Journal of the Iranian Chemical Society, 11 (2014) 863-869.
  • [36] Wright, J.S., E.R. Johnson, and G.A. DiLabio, Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants, Journal of the American Chemical Society, 123 (2001) 1173-1183.
  • [37] Leopoldini, M., et al., Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants. A first principle theoretical study, The Journal of Physical Chemistry A, 108 (2004) 92-96.
  • [38] Ahmed, L., R. OMER, and H. Kebiroglu, A theoretical study on Dopamine molecule, Journal of Physical Chemistry and Functional Materials, 2 66-72.
  • [39] Tammer, M., G. Sokrates: Infrared and Raman characteristic group frequencies: tables and charts, Springer:2004.
  • [40] Socrates, G., Infrared and Raman characteristic group frequencies: tables and charts. John Wiley & Sons, 2004:
  • [41] Wilson, E.B., J.C. Decius, and P.C. Cross, Molecular vibrations: the theory of infrared and Raman vibrational spectra. 1980.
  • [42] Srivastava, A. and V. Singh, Theoretical and experimental studies of vibrational spectra of naphthalene and its cation. (2007).
  • [43] Krishnakumar, V. and R.J. Xavier, Normal coordinate analysis of 2-mercapto and 4, 6-dihydroxy-2-mercapto pyrimidines. (2003).
  • [44] Ramalingam, S., et al., FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (2010) 1308-1314.
  • [45] Nagabalasubramanian, P., et al., FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of α, α dichlorotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (2009) 277-280.
  • [46] Shoba, D., et al., FT-IR and FT-Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester. Spectrochimica, Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (2011) 504-518.
  • [47] Krishnakumar, V., V. Balachandran, and T. Chithambarathanu, Density functional theory study of the FT-IR spectra of phthalimide and N-bromophthalimide, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 62 (2005) 918-925.
  • [48] Nagabalasubramanian, P., S. Periandy, and S. Mohan, Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (2010) 150-159.
  • [49] Sun, Q., The Raman OH stretching bands of liquid water,. Vibrational Spectroscopy, 51 (2009) 213-217.
  • [50] Zviagina, B.B., et al., Interpretation of infrared spectra of dioctahedral smectites in the region of OH-stretching vibrations, Clays and Clay Minerals, 52 (2004) 399-410.
  • [51] Besson, G. and V. Drits, Refined relationships between chemical composition of dioctahedral fine-grained mica minerals and their infrared spectra within the OH stretching region. Part I: Identification of the OH stretching bands, Clays and Clay Minerals, 45 (1997) 158-169.
  • [52] Ramalingam, S., et al., Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime,. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96 (2012) 207-220.
  • [53] Kose, E., et al., FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 622-634.
  • [54] Karthikeyan, N., et al., Spectroscopic [FT-IR and FT-Raman] and theoretical [UV–Visible and NMR] analysis on α-Methylstyrene by DFT calculations, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 143 (2015) 107-119.
  • [55] Zhai, C., et al., Experimental and theoretical study on the hydrogen bonding between dopamine hydrochloride and N, N-dimethyl formamide,. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 145 (2015) 500-504.
  • [56] DABBAGH, H.A., et al., UV-vis, NMR and FT-IR spectra of tautomers of vitamin C. Experimental and DFT calculations, Journal of the Chilean Chemical Society, 59 (2014) 2588-2594.
  • [57] OMER, L.A. and O. Rebaz, Computational Study on Paracetamol Drug, Journal of Physical Chemistry and Functional Materials, 3 9-13 . [58] Gázquez, J.L., Perspectives on the density functional theory of chemical reactivity, Journal of the Mexican Chemical Society, 52 (2008) 3-10.
  • [59] Rebaz, O., et al., Computational determination the reactivity of salbutamol and propranolol drugs,. Turkish Computational and Theoretical Chemistry, 4 67-75.
  • [60] Calais, J.L., Density‐functional theory of atoms and molecules. RG Parr and W. Yang, New York: Oxford University Press, , Oxford, 1989. IX+ 333 pp. Price£ 45.00. International Journal of Quantum Chemistry, 47 (1993) 101-101.
  • [61] Jemmis, E.D., J. Chandrasekhar, and P.v.R. Schleyer, Stabilization of D3h pentacoordinate carbonium ions. Linear three-center-two-electron bonds. Implications for aliphatic electrophilic substitution reactions. Journal of the American Chemical Society, 101 (1979) 527-533.
  • [62] Srivastava, K., et al., Vibrational analysis and chemical activity of paracetamol–oxalic acid cocrystal based on monomer and dimer calculations: DFT and AIM approach, RSC advances, 6 (2016) 10024-10037.
  • [63] Rebaz A. , et al., Theoretical analysis of the reactivity of chloroquine and hydroxychloroquine, Indian Journal of Chemistry 59A, (2020) 1828-1834

Spectroscopic properties of Vitamin C: A theoretical work

Year 2020, Volume: 41 Issue: 4, 916 - 928, 29.12.2020

Lana Ahmed , Rebaz Omer

https://doi.org/10.17776/csj.762184
Cited By: 19

Abstract

Vitamin C is an important human micronutrient. It has many vital biological functions in human health. In this research paper, the molecule of vitamin C was optimized and energy band gaps were determined using DFT and HF methods. In computational quantum theory, Density Functional Theory (DFT) and Hartree-Fock (HF) currently play a significant role in physical chemistry spatially. We chose a 6-311+G basis set on the DFT and HF methods to assess our vitamin C molecule. The FT-IR spectra of vitamin C are reported in the current research. The observed vibrational frequencies are assigned and the computational calculations are performed and the corresponding results are displayed. The structure analysis of the present molecule was investigated by NMR (13C NMR & 1H NMR) and UV-Vis spectra. To assess molecular behavior, Mulliken charge distribution, molecular electrostatic potentials (MEP) and Molecular reactivity description were informed to define the activity of the molecule. All calculations were performed using Gaussian 09 packages.

Keywords

Vitamin C DFT HF Electrostatic potential Spectroscopy

References

  • [1] Sehrawat, R., et al., Technological interventions in the processing of fruits and vegetables. 2018.
  • [2] Abbas, S., et al., Ascorbic acid: microencapsulation techniques and trends—a review, Food Reviews International, 28 (2012) 343-374.
  • [3] Iqbal, K., A. Khan, and M. Khattak, Biological significance of ascorbic acid (vitamin C) in human health-a review, Pakistan Journal of Nutrition, 3 (2004) 5-13.
  • [4] Carr, A.C. and S. Maggini, Vitamin C and immune function, Nutrients, 9 (2017) 1211.
  • [5] Segal, A.W., How neutrophils kill microbe,. Annu. Rev. Immunol., 23 (2005) 197-223.
  • [6] Hemilä, H., Vitamin C and infections, Nutrients, 9 (2017) 339.
  • [7] LeBlanc, J., et al., Studies on acclimatization and on the effect of ascorbic acid in men exposed to cold, Canadian journal of biochemistry and physiology, 32 (1954) 407-427.
  • [8] Dugal, L.P., Vitamin C in relation to cold temperature tolerance, Annals of the New York Academy of Sciences, 92 (1961) 307-317.
  • [9] Strydom, N., et al., Effect of ascorbic acid on rate of heat acclimatization, Journal of Applied Physiology, 41 (1976) 202-205.
  • [10] Chang, C.-Y., et al., Therapeutic treatment with ascorbate rescues mice from heat stroke-induced death by attenuating systemic inflammatory response and hypothalamic neuronal damage,. Free Radical Biology and Medicine, 93 (2016) 84-93.
  • [11] Hemilä, H., Do vitamins C and E affect respiratory infections? (2006).
  • [12] Hemilä, H., Vitamin C and the common cold, British Journal of nutrition, 67 (1992) 3-16.
  • [13] Beisel, W.R., Single nutrients and immunity., Army Medical Research Inst. of Infectious Diseaes Fort Detrick MD, 1982
  • [14] Manning, J., et al., Vitamin C promotes maturation of T-cells, Antioxidants & redox signaling, 19 (2013) 2054-2067.
  • [15] Webb, A.L. and E. Villamor, Update: effects of antioxidant and non-antioxidant vitamin supplementation on immune function, Nutrition reviews, 65 (2007) 181-217.
  • [16] Lupulescu, A., Hormones and vitamins in cancer treatment. 1990.
  • [17] Lupulescu, A., The role of vitamins A, beta-carotene, E and C in cancer cell biology, International Journal for Vitamin and Nutrition Research., 64 (1994) 3-14.
  • [18] Walingo, K., Role of vitamin C (ascorbic acid) on human health-a review, African Journal of Food, Agriculture, Nutrition and Development, 5 (2005).
  • [19] Devaki, S.J. and R.L. Raveendran, Vitamin C: sources, functions, sensing and analysis, in Vitamin C. 2017.
  • [20] Saul, A.W., Nutritional treatment of coronavirus. Orthomolecular Medicine News Service, 16 (2020) 22.
  • [21] Verma, K.K., et al., Solid-phase extraction cleanup for determining ascorbic acid and dehydroascorbic acid by titration with 2, 6-dichlorophenolindophenol. Journal of AOAC international, 79 (1996) 1236-1243.
  • [22] Wu, X., et al., Fluorimetric determination of ascorbic acid with o-phenylenediamine, Talanta, 59 (2003) 95-99.
  • [23] Khan, M.R., et al., A simple UV-spectrophotometric method for the determination of vitamin C content in various fruits and vegetables at Sylhet area in Bangladesh, J. Biol. Sci, 6 (2006) 388-392.
  • [24] De Leenheer, A.P. and W. Lambert, Modern chromatographic analysis of vitamins, Revised and expanded. 84. 2000.
  • [25] Casella, L., et al., Rapid enzymatic method for vitamin C assay in fruits and vegetables using peroxidase, Journal of Food Science, 54 (1989) 374-375.
  • [26] Ensafi, A.A., B. Rezaei, and H. Movahedinia, Kinetic–spectrophotometric determination of ascorbic acid by inhibition of the hydrochloric acid–bromate reaction, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 58 (2002) 2589-2594.
  • [27] Safavi, A. and L. Fotouhi, Kinetic spectrophotometric determination of ascorbic acid by reduction of toluidine blue, Talanta, 41 (1994) 1225-1228.
  • [28] Ardalan, T., P. Ardalan, and M. Monajjemi, Nano Theoretical Study of a C16 Cluster as a Novel Material for Vitamin C Carrier, Fullerenes, Nanotubes and Carbon Nanostructures, 22 (2014) 687-708.
  • [29] Harismah, K., et al., Adsorption of vitamin C on a fullerene surface: DFT studies, Journal of Nanoanalysis, 4 (2017) 1-7.
  • [30] Jiang, L., M. Li, and Y. Liu. Terahertz spectra of vitamins studied by terahertz spectroscopy and density functional theory. in 26TH International Symposium on Space Terahertz Technology. 2015.
  • [31] Demianenko, E., et al., A theoretical study on ascorbic acid dissociation in water clusters, Journal of molecular modeling, 20 (2014) 2128.
  • [32] Jiang, L., et al., Terahertz spectra of L-ascorbic acid and thiamine hydrochloride studied by terahertz spectroscopy and density functional theory, Journal of Infrared, Millimeter, and Terahertz Waves, 35 (2014) 871-880.
  • [33] Hou, X., et al., Ascorbic acid induced atrazine degradation, Journal of hazardous materials, 327 (2017) 71-78.
  • [34] Yamabe, S., et al., Frontier orbitals and transition states in the oxidation and degradation of l-ascorbic acid: a DFT study, Organic & biomolecular chemistry, 13 (2015) 4002-4015.
  • [35] Yuan, Y. and R.-N. Zhao, Geometries and stabilities of l-ascorbic acid dimer and its derivatives: a computational investigation by density functional methods, Journal of the Iranian Chemical Society, 11 (2014) 863-869.
  • [36] Wright, J.S., E.R. Johnson, and G.A. DiLabio, Predicting the activity of phenolic antioxidants: theoretical method, analysis of substituent effects, and application to major families of antioxidants, Journal of the American Chemical Society, 123 (2001) 1173-1183.
  • [37] Leopoldini, M., et al., Structure, conformation, and electronic properties of apigenin, luteolin, and taxifolin antioxidants. A first principle theoretical study, The Journal of Physical Chemistry A, 108 (2004) 92-96.
  • [38] Ahmed, L., R. OMER, and H. Kebiroglu, A theoretical study on Dopamine molecule, Journal of Physical Chemistry and Functional Materials, 2 66-72.
  • [39] Tammer, M., G. Sokrates: Infrared and Raman characteristic group frequencies: tables and charts, Springer:2004.
  • [40] Socrates, G., Infrared and Raman characteristic group frequencies: tables and charts. John Wiley & Sons, 2004:
  • [41] Wilson, E.B., J.C. Decius, and P.C. Cross, Molecular vibrations: the theory of infrared and Raman vibrational spectra. 1980.
  • [42] Srivastava, A. and V. Singh, Theoretical and experimental studies of vibrational spectra of naphthalene and its cation. (2007).
  • [43] Krishnakumar, V. and R.J. Xavier, Normal coordinate analysis of 2-mercapto and 4, 6-dihydroxy-2-mercapto pyrimidines. (2003).
  • [44] Ramalingam, S., et al., FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75 (2010) 1308-1314.
  • [45] Nagabalasubramanian, P., et al., FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of α, α dichlorotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (2009) 277-280.
  • [46] Shoba, D., et al., FT-IR and FT-Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester. Spectrochimica, Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (2011) 504-518.
  • [47] Krishnakumar, V., V. Balachandran, and T. Chithambarathanu, Density functional theory study of the FT-IR spectra of phthalimide and N-bromophthalimide, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 62 (2005) 918-925.
  • [48] Nagabalasubramanian, P., S. Periandy, and S. Mohan, Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (2010) 150-159.
  • [49] Sun, Q., The Raman OH stretching bands of liquid water,. Vibrational Spectroscopy, 51 (2009) 213-217.
  • [50] Zviagina, B.B., et al., Interpretation of infrared spectra of dioctahedral smectites in the region of OH-stretching vibrations, Clays and Clay Minerals, 52 (2004) 399-410.
  • [51] Besson, G. and V. Drits, Refined relationships between chemical composition of dioctahedral fine-grained mica minerals and their infrared spectra within the OH stretching region. Part I: Identification of the OH stretching bands, Clays and Clay Minerals, 45 (1997) 158-169.
  • [52] Ramalingam, S., et al., Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime,. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96 (2012) 207-220.
  • [53] Kose, E., et al., FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116 (2013) 622-634.
  • [54] Karthikeyan, N., et al., Spectroscopic [FT-IR and FT-Raman] and theoretical [UV–Visible and NMR] analysis on α-Methylstyrene by DFT calculations, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 143 (2015) 107-119.
  • [55] Zhai, C., et al., Experimental and theoretical study on the hydrogen bonding between dopamine hydrochloride and N, N-dimethyl formamide,. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 145 (2015) 500-504.
  • [56] DABBAGH, H.A., et al., UV-vis, NMR and FT-IR spectra of tautomers of vitamin C. Experimental and DFT calculations, Journal of the Chilean Chemical Society, 59 (2014) 2588-2594.
  • [57] OMER, L.A. and O. Rebaz, Computational Study on Paracetamol Drug, Journal of Physical Chemistry and Functional Materials, 3 9-13 . [58] Gázquez, J.L., Perspectives on the density functional theory of chemical reactivity, Journal of the Mexican Chemical Society, 52 (2008) 3-10.
  • [59] Rebaz, O., et al., Computational determination the reactivity of salbutamol and propranolol drugs,. Turkish Computational and Theoretical Chemistry, 4 67-75.
  • [60] Calais, J.L., Density‐functional theory of atoms and molecules. RG Parr and W. Yang, New York: Oxford University Press, , Oxford, 1989. IX+ 333 pp. Price£ 45.00. International Journal of Quantum Chemistry, 47 (1993) 101-101.
  • [61] Jemmis, E.D., J. Chandrasekhar, and P.v.R. Schleyer, Stabilization of D3h pentacoordinate carbonium ions. Linear three-center-two-electron bonds. Implications for aliphatic electrophilic substitution reactions. Journal of the American Chemical Society, 101 (1979) 527-533.
  • [62] Srivastava, K., et al., Vibrational analysis and chemical activity of paracetamol–oxalic acid cocrystal based on monomer and dimer calculations: DFT and AIM approach, RSC advances, 6 (2016) 10024-10037.
  • [63] Rebaz A. , et al., Theoretical analysis of the reactivity of chloroquine and hydroxychloroquine, Indian Journal of Chemistry 59A, (2020) 1828-1834
There are 62 citations in total.

Details

Primary Language English
Subjects Classical Physics (Other)
Journal Section Natural Sciences
Authors

Lana Ahmed 0000-0003-2181-1972

Rebaz Omer 0000-0002-3774-6071

Publication Date December 29, 2020
Submission Date July 1, 2020
Acceptance Date December 3, 2020
Published in Issue Year 2020Volume: 41 Issue: 4

Cite

APA Ahmed, L., & Omer, R. (2020). Spectroscopic properties of Vitamin C: A theoretical work. Cumhuriyet Science Journal, 41(4), 916-928. https://doi.org/10.17776/csj.762184

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Cumhuriyet Science Journal
Rebaz OMER
https://doi.org/10.17776/csj.881654