SCOPUS 정보 검색 플랫폼

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 91, Issue , 2012, Pages 146-157

Density functional theory, comparative vibrational spectroscopic studies, NBO, HOMO-LUMO analyses and thermodynamic functions of N-(bromomethyl) phthalimide and N-(chloromethyl)phthalimide

(3) Balachandran, V a Lalitha, S b Rajeswari, S b

a A A Government Arts College (India)

b Periyar EVR College Autonomous (India)

Author keywords

DFT; HOMO LUMO; N (bromomethyl)phthalimide; N (chloromethyl)phthalimide; NBO analysis; Thermodynamic functions

Indexed keywords

B3LYP METHOD; B3LYP/6-31G; BASIS SETS; CHLOROMETHYL; DFT; EXPERIMENTAL DATA; FTIR AND FT-RAMAN SPECTRA; GEOMETRICAL PARAMETERS; HOMO-LUMO; INFRARED AND RAMAN SPECTRA; LUMO ENERGY; NBO ANALYSIS; PHTHALIMIDE; QUANTUM-MECHANICAL CALCULATION; SPECTROGRAMS; SPECTROSCOPIC STUDIES; THERMODYNAMIC FUNCTIONS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

CHARGE TRANSFER; GEOMETRY; RAMAN SCATTERING; SPECTROSCOPIC ANALYSIS;

THERMODYNAMICS;

PHTHALIMIDE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HALOGENATION; INFRARED SPECTROSCOPY; METHYLATION; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS;

HALOGENATION; METHYLATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHTHALIMIDES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS;

EID: 84859051890 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/j.saa.2012.01.034 Document Type: Article

Times cited : (15)

References (29)

1
- 27844525337
- V. Krishnakumar, V. Balachandran, and T. Chithambarathanu Spectrochim. Acta 62A 2005 918 925
- (2005) Spectrochim. Acta , vol.62 A , pp. 918-925
- Krishnakumar, V.¹ Balachandran, V.² Chithambarathanu, T.³

2
- 84859015464
- Wiley-Blackwell
- Koh, Joonseok, Kim, Hoegyeong, Lee Jieun, and Eom Minyoung Coloration Technology vol. 126 2009 Wiley-Blackwell
- (2009) Minyoung Coloration Technology , vol.126
- Koh¹ Joonseok² Kim³ Hoegyeong⁴ Jieun, L.⁵ Eom⁶

3
- 70249119224
- V. Arjunan, I. Saravanan, P. Ravindran, and S. Mohan Spectrochim. Acta 74A 2009 642 649
- (2009) Spectrochim. Acta , vol.74 A , pp. 642-649
- Arjunan, V.¹ Saravanan, I.² Ravindran, P.³ Mohan, S.⁴

4
- 69949148466
- V. Krishnakumar, M. Sivasubramanian, and S. Muthunatesan J. Raman Spectrosc. 40 2009 987 991
- (2009) J. Raman Spectrosc. , vol.40 , pp. 987-991
- Krishnakumar, V.¹ Sivasubramanian, M.² Muthunatesan, S.³

5
- 80755153596
- T. Karthick, V. Balachandran, S. Perumal, and A. Nataraj J. Mol. Struct. 1005 2011 202 213
- (2011) J. Mol. Struct. , vol.1005 , pp. 202-213
- Karthick, T.¹ Balachandran, V.² Perumal, S.³ Nataraj, A.⁴

6
- 0038556684
- K. Golcuk, A. Altun, and M. Kumru Spectrochim. Acta 59A 2003 1841 1847
- (2003) Spectrochim. Acta , vol.59 A , pp. 1841-1847
- Golcuk, K.¹ Altun, A.² Kumru, M.³

7
- 75749083809
- Gaussian Inc. Wallingford, CT
- M.J. Frisch, G.W. Trucks, H.B. Schlegal, G.E. Scuseria, and M.A. Robb Gaussian 09, Revision A. 02 2009 Gaussian Inc. Wallingford, CT
- (2009) Gaussian 09, Revision A. 02
- Frisch, M.J.¹ Trucks, G.W.² Schlegal, H.B.³ Scuseria, G.E.⁴ Robb, M.A.⁵

8
- 34247523037
- Gaussian Inc.
- A. Frisch, A.B. Niesen, and A.J. Holder Gauses View Users Manual 2008 Gaussian Inc.
- (2008) Gauses View Users Manual
- Frisch, A.¹ Niesen, A.B.² Holder, A.J.³

9
- 0003979716
- Academic Kiaclo Budapest
- G. Varasanyi Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives vol. I & II 1973 Academic Kiaclo Budapest
- (1973) Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives , vol.1-2
- Varasanyi, G.¹

10
- 72349097720
- S. Gunasekaran, R.A. Balaji, S. Kumaresan, G. Anand, and S. Srinivasan Can. J. Anal. Sci. Spectrosc. 53 2008 149 162
- (2008) Can. J. Anal. Sci. Spectrosc. , vol.53 , pp. 149-162
- Gunasekaran, S.¹ Balaji, R.A.² Kumaresan, S.³ Anand, G.⁴ Srinivasan, S.⁵

11
- 0003520774
- Wiley International Edition
- R.M. Silverstein, C.G. Bassler, and T.C. Morrill Spectrometric Identification of Organic Compounds 1981 Wiley International Edition
- (1981) Spectrometric Identification of Organic Compounds
- Silverstein, R.M.¹ Bassler, C.G.² Morrill, T.C.³

12
- 77955919054
- M. Amalanathan, I. Hubert Joe, and I. Kostova J. Raman Spectrosc. 41 2010 1076 1084
- (2010) J. Raman Spectrosc. , vol.41 , pp. 1076-1084
- Amalanathan, M.¹ Hubert Joe, I.² Kostova, I.³

13
- 37849053732
- I. Matulkova, I. Nemec, K. Teubner, P. Nemec, and Z. Micka J. Mol. Struct. 873 2008 46 60
- (2008) J. Mol. Struct. , vol.873 , pp. 46-60
- Matulkova, I.¹ Nemec, I.² Teubner, K.³ Nemec, P.⁴ Micka, Z.⁵

14
- 53849100035
- M. Karabacak, and M. Kurt Spectrochim. Acta 71A 2008 876 883
- (2008) Spectrochim. Acta , vol.71 A , pp. 876-883
- Karabacak, M.¹ Kurt, M.²

15
- 0008531475
- S. Chand & Company Ltd
- Y.R. Sharma, Elementary Organic Spectroscopy Principles and Applications, S. Chand & Company Ltd, 2005.
- (2005) Elementary Organic Spectroscopy Principles and Applications
- Sharma, Y.R.¹

16
- 0003966934
- second ed. New Age International (P) Limited New Delhi
- D.N. Sathyanarayana Vibrational Spectroscopy. Theory and Applications second ed. 2004 New Age International (P) Limited New Delhi
- (2004) Vibrational Spectroscopy. Theory and Applications
- Sathyanarayana, D.N.¹

17
- 70249119224
- V. Arjunan, I. Saravanan, P. Ravindran, and S. Mohan Spectrochim. Acta 2009 642 649
- (2009) Spectrochim. Acta , pp. 642-649
- Arjunan, V.¹ Saravanan, I.² Ravindran, P.³ Mohan, S.⁴

18
- 58749102196
- V.S. Madhavana, H.T. Vargheseb, S. Mathew, J. Vinsovad, and C.Y. Panicker Spectrochim. Acta 72A 2009 547 553
- (2009) Spectrochim. Acta , vol.72 A , pp. 547-553
- Madhavana, V.S.¹ Vargheseb, H.T.² Mathew, S.³ Vinsovad, J.⁴ Panicker, C.Y.⁵

19
- 34848904309
- C.S. Hiremath, J. Yenagi, and J. Tonannavar Spectrochim. Acta 68A 2007 710 717
- (2007) Spectrochim. Acta , vol.68 A , pp. 710-717
- Hiremath, C.S.¹ Yenagi, J.² Tonannavar, J.³

20
- 0003735814
- John Wiley GB
- G. Socrates Infrared Characteristic Group Frequencies 1980 John Wiley GB
- (1980) Infrared Characteristic Group Frequencies
- Socrates, G.¹

21
- 0003454015
- Chapman and Hall London
- L.J. Bellami The Infrared Spectra of Complex Molecules 1975 Chapman and Hall London
- (1975) The Infrared Spectra of Complex Molecules
- Bellami, L.J.¹

22
- 33646175517
- V. Sortur, J. Yenagi, J. Tonannavar, V.B. Jadhav, and M.V. Kulkarni Spectrochim. Acta 64A 2006 301 307
- (2006) Spectrochim. Acta , vol.64 A , pp. 301-307
- Sortur, V.¹ Yenagi, J.² Tonannavar, J.³ Jadhav, V.B.⁴ Kulkarni, M.V.⁵

23
- 0030735106
- Y. Uesugi, M. Mizuno, A. Shimojima, and H. Takahashi J. Phys. Chem. 101 1997 268 274
- (1997) J. Phys. Chem. , vol.101 , pp. 268-274
- Uesugi, Y.¹ Mizuno, M.² Shimojima, A.³ Takahashi, H.⁴

24
- 35948975078
- S. Seshadri, S. Gunasekaran, S. Muthu, S. Kumaresan, and R. Arun Balaji J. Raman Spectrosc. 38 2007 1523 1531
- (2007) J. Raman Spectrosc. , vol.38 , pp. 1523-1531
- Seshadri, S.¹ Gunasekaran, S.² Muthu, S.³ Kumaresan, S.⁴ Arun Balaji, R.⁵

25
- 0344127880
- John Wiley &Sons, Ltd
- Frank Jensen, Computational Chemistry, John Wiley &Sons, Ltd, 2006.
- (2006) Computational Chemistry
- Jensen, F.¹

26
- 59449084370
- R.A.E. Castro, J. Canotilho, S.C.C. Nunes, M. Ermelinda, S. Eusebio, and J. Simoes Redinha Spectrochim. Acta 72A 2009 819 826
- (2009) Spectrochim. Acta , vol.72 A , pp. 819-826
- Castro, R.A.E.¹ Canotilho, J.² Nunes, S.C.C.³ Ermelinda, M.⁴ Eusebio, S.⁵ Simoes Redinha, J.⁶

27
- 0035978673
- F. Weinhold Nature 411 2001 539 541
- (2001) Nature , vol.411 , pp. 539-541
- Weinhold, F.¹

28
- 84926111067
- Cambridge University Press Cambridge
- F. Weinhold, and C. Landis Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective 2005 Cambridge University Press Cambridge
- (2005) Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective
- Weinhold, F.¹ Landis, C.²

29
- 84859046026
- Methuen & Co. Ltd. and Science Paper Backs
- F. Seel, Atomic Structure and Chemical bonding, Methuen & Co. Ltd. and Science Paper Backs, 1963.
- (1963) Atomic Structure and Chemical Bonding
- Seel, F.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.