| 光谱学与光谱分析 |
|
|
|
|
|
| Vibrational Spectroscopic Study of N-[4-[1-Hydroxy-2-[(1-Methyl Ethyl) Amino] Ethyl] Phenyl] Methane Sulfonamide |
| N. Balamurugan1*, S. Sampathkrishnan2, C. Charanya3 |
1. Department of Physics, Sri Lakshmi Ammaal Engineering College, Chennai, Tamilnadu, India
2. Department of Physics, Sri Venkateswara College of Engineering, Sriperumbudur 602105, Tamil Nadu, India
3. Research Scholar, Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur 602105, Tamilnadu, India |
|
|
|
|
Abstract The vibrational spectral analysis was carried out by using FT-Raman and FT-IR spectroscopy in the range 4 000～400 and 4 000～400 cm-1 respectively, for N-[4-[1-hydroxy-2-[(1-methyl ethyl) amino] ethyl] phenyl] methane sulfonamide (HPAEPMS) molecule. Theoretical calculations were performed by ab initio Density Functional Theory (DFT) method using 6-31G(d,p) basis set. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The results of the calculations were applied to simulated spectra of the title compound, which show excellent agreement.
|
|
Received: 2015-08-29
Accepted: 2016-01-11
|
|
|
|
Corresponding Authors:
N. Balamurugan
E-mail: n_rishibalaa@yahoo.co.in
|
|
[1] Maren T H. Ann. Rev. Pharmacol. Toxicol., 1976, 16: 309.
[2] Supuran C T, Scozzafava A. Curr. Med. Chem. Immunol. Endocrine Metabolic Agents 1, 2001. 61.
[3] Supuran C T, Scozzafava A, Casini A. Med. Res. Rev., 2003, 23: 146.
[4] Supuran C T, Scozzafava A. Expert Opin. Ther. Patents, 2002, 12: 217.
[5] Silverman R B. The Organic Chemistry of Drug Design and Drug Action, Academic, London, 1992.
[6] Albala D M, Prien E L, Galal H A. J. Endourol., 1994, 8: 401.
[7] Reynolds J E F(Ed.). Martindale: The Extra Pharmacopoeia, 31st ed., The Royal Pharmaceutical Society, London, 1996.
[8] Kaur I P, Singh M, Kanwar M. Int. J. Pharm. 2000, 199: 119.
[9] Famaey J P. Inflamm. Res., 1997, 46: 437.
[10] OnucCozar, LászlóSzabó, Vasile Chi , et al. Annals of the Academy of Romanian Scientists Physics Series, 2010，2：17.
[11] Nagabalasubramanian P B, Periandy S. Spectrochim. Acta A, 2010, 77: 1099.
[12] Govindarajan M, M. Karabacak, A. Suvitha, S. Periandy, Spectrochim. Acta A, 2012, 89: 137.
[13] Govindarajan M, Karabacak M, Periandy S, et al. Spectrochim. Acta A, 2012, 97: 231.
[14] Karabacak M, Kurt M, Atac A. J. Phys. Org. Chem., 2009, 22: 321.
[15] Mehmet Karabacak, Dilek Karagz, Mustafa Kurt. Spectrochim. Acta A, 2009, 72: 1076.
[16] Palafox M A, Tardajos G, Martines A G, et al. Chem. Phys., 2007, 340: 17.
[17] Stephens P J, Devlin F J, Chavalowski C F, et al. J. Phys. Chem., 1994, 98: 11623.
[18] Devlin F J, Finley J W, Stephens P J, et al. J. Phys. Chem., 1995, 99: 16883.
[19] Lee S Y, Boo B H. Bull. Korean Chem. Soc., 1996, 17: 754.
[20] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03, Revision A.I, Gaussian, Inc., Pittsburgh, PA, 2003.
[21] Schlegel H B. J. Comput. Chem., 1982, 3: 214.
[22] Foresman J B, Frisch A. Exploring Chemistry with Electronic Structure Methods,Gaussian Inc., Pittsburgh, 1996.
[23] Michalska D. Raint Program, Wroclaw University of Technology, 2003.
[24] Michalska D, Wyokinski R. Chem. Phys. Lett., 2005, 403: 211.
[25] Sanchez-Camazano M, Sanchez-Martin M J, Vicente M T, et al. Clay Minerals，1987，22：121.
[26] Silverstein M, Bassler G C, Morril C. Spectroscopic Identification of Organic Compounds, John Wiley, Newyork, 1981.
[27] Bellamy L J. The Infrared Spectra of Complex Molecules, Vol. 2, Chapman and Hall, London, 1980.
[28] Chandran A, Mary Y S, Varghese H T, et al. Spectrochim. Acta A, 2011, 79: 1584.
[29] Rastogi V K, Palafox M A, Tanwar R P, et al. Spectrochim. Acta, 2002, 58A: 1987.
[30] Roges N P G. A Guide to the Complete Interpretation of the Infrared Spectra of Organic Structures, Wiley, New York, 1994.
[31] Kalsi P S. Spectroscopy of Organic Compounds, Wiley Eastern Limited, New Delhi, 1993.
[32] Sajan D, Joe I H, Jayakumar V S. J. Raman Spectrosc., 2005, 37: 508.
[33] Reddy B V, Rao G R. Vib. Spectrosc., 1994, 6: 231.
[34] Areanas J F, Tocn I L, Otero J C, et al. J. Mol. Struct., 1997, 410: 443.
[35] Sebastian S, Sundaraganesan N. Spectrochim. Acta A, 2010, 75: 941.
[36] Sekino H, Bartlett R J. J. Chem. Phys., 1986, 84: 2726.
[37] Henriksson J, Saue T, Norman P. J. Chem. Phys., 2008, 128: 105.
[38] Sun Y X, Hao Q L, Yu Z X, et al. Mol. Phys., 2009, 107: 217.
[39] Ahmed A B, Feki H, Abid Y, et al. J. Mol. Struct., 2009，920：1.
[40] Varsanyi G. Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives, Vol. 1/2, Academic Kiado, Budapset, 1973.
[41] Shimanouchi T, Kakiuti Y, Gamo I. J. Chem. Phys., 1956, 25: 1245. |
| [1] |
CHEN Jing-yi1, ZHU Nan2, ZAN Jia-nan3, XIAO Zi-kang1, ZHENG Jing1, LIU Chang1, SHEN Rui1, WANG Fang1, 3*, LIU Yun-fei3, JIANG Ling3. IR Characterizations of Ribavirin, Chloroquine Diphosphate and
Abidol Hydrochloride[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(07): 2047-2055. |
| [2] |
HUANG Bin, DU Gong-zhi, HOU Hua-yi*, HUANG Wen-juan, CHEN Xiang-bai*. Raman Spectroscopy Study of Reduced Nicotinamide Adenine Dinucleotide[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2022, 42(06): 1679-1683. |
| [3] |
HE Wen-xuan*, LIN Qi. Efficient Saponification and Separation of Unsaponifiables for Authentication of Sesame Oil Using FT-IR Spectroscopy and Chemometrics[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2021, 41(01): 319-326. |
| [4] |
Revathi Haldorai1, M. Thirumalaikumar2, S. Sampathkrishnan3, C. Charanya4, N. Balamurugan5*. Quantum Chemical Vibrational Study, FTIR and FT-Raman Spectra of 1,3-Diphenyl Propenone[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(12): 3932-3939. |
| [5] |
CHEN Shan-jun1*, FAN Jian1, LUO Zhi-neng1, CHEN Yan1, 2, LI Song1, ZHANG Wei-bin1, LU Nian1, WEI Jian-jun3. Theoretical and Experimental Study of Surface Enhanced Raman Spectroscopy of Caffeic Acid Molecules[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(06): 1763-1767. |
| [6] |
C. Charanya1, S. Sampathkrishnan2, N. Balamurugan3*. Natural Bond Orbital (NBO), Natural Population Analysis and Mulliken Analysis of Atomic Charges of 4-Amino-3-Phenylbutanoic Acid[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2019, 39(03): 977-981. |
| [7] |
Rubarani P Gangadharan1*, S Sampath Krishnan2. Quantum Chemical Calculations on 4-[2-(Tert-Butylamino)-1-Hydroxyethyl]-2-(Hydroxymethyl) Phenol by Density Functional Theory[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(11): 3631-3637. |
| [8] |
Halil Oturak1*, Neslihan Kaya Kınaytürk2，Çağrı Çırak3. Experimental and Theoretical Spectral (FT-IR, Raman, NMR, UV-Vis and NLO) Analysis of a Potential Anti-Tumor Drug: 1-Methyl-6-Nitro-1H-Benzimidazole[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2018, 38(06): 1963-1969. |
| [9] |
C. Charanya1，S. Sampathkrishnan2, N. Balamurugan3*. Natural Bond Orbital (NBO), Natural Population Analysis (NPA) and Non Linear Optical Properties of (1S, 2R)-2-amino-1-phenylpropan-1-ol Using DFT Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(09): 2984-2988. |
| [10] |
LIU Jiang-mei1, LIU Wen-han1*, TENG Yuan-jie1, LAN Min-bo2, MA Su-zhen1, YUAN Rong-hui1, 3, NIE Jing1, HE Chang-jing1. Adsorption of Oxamyl on Fe3O4/Ag Magnetic Nanoparticles Surface with Surface-Enhanced Raman Scattering[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(07): 2061-2066. |
| [11] |
LIU Yu-zhu1,2, LI Xiang-hong3, WANG Jun-feng1, GUAN Yue1,2, JIN Feng4, QIN Chao-chao5 . Study on Dissociation Properties and Spectra of Halon 1301 in External Electric Field[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2017, 37(03): 679-684. |
| [12] |
Peter A. Ajibade . The Intramolecular Spin-Spin Interactions in Ruthenium Complexes of Pyrazole Derivatives[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(11): 3737-3745. |
| [13] |
ZHANG Juan1, LIU Hai-tang1, 2, LIU Zhong1*, JIANG Qi-fan1 . Catalytic Liquefaction of Corn Stalk under Atomosphere Prssure and the Analysis of Liquefaction Products [J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(10): 3243-3248. |
| [14] |
WANG Yu-tian, CAO Li-fang, YANG Zhe*, YAN Bing, ZHANG Li-juan . Research on the Medicinal Effective Component and Characterization of Virus-Free Breeding and Sulfur Smoked Qi Chrysanthemum Based on FTIR and FT-Raman[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(09): 2780-2783. |
| [15] |
YI Ling-xue, GAO Lei*, ZHAO Li-jun, JIANG Chen, ZHAO Kun. Dibutyl Phthalate Theoretical Analysis and Detection in Infrared[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(09): 2789-2792. |
|
|
|
|
