Theoretical calculations of the molecular properties of maleimide and its dimer

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 1, 2008, Pages 5-9

  Aguiar, Eduardo C ^a   da Silva, João Bosco P ^a   Ramos, Mozart N ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

Hydrogen bonds; Infrared spectrum; Maleimide; Theoretical calculations

Indexed keywords

BINDING ENERGY; ISOMERS;

BASIS SETS; DIMER FORMATION; HYDROGEN BONDS; INFRARED SPECTRUM; MALEIMIDE; MOLECULAR PROPERTIES; THEORETICAL CALCULATIONS;

INFRARED SPECTROSCOPY;

AMIDE; CARBON; HYDROGEN; MALEIMIDE; MALEIMIDE DERIVATIVE; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; OSCILLOMETRY; PROTEIN BINDING; STATIC ELECTRICITY; THEORETICAL MODEL; THERMODYNAMICS;

AMIDES; CARBON; DIMERIZATION; HYDROGEN; HYDROGEN BONDING; MALEIMIDES; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR STRUCTURE; OSCILLOMETRY; OXYGEN; PROTEIN BINDING; SPECTROPHOTOMETRY, INFRARED; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 49849088857     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2007.11.002     Document Type: Article

References (19)

1. von Sonntag J., Knolle W., and Photochem J. Photobiol. A: Chem. 136 (2000) 133-139
2. Warman J.M., Abellon R.D., Verhey H.J., Verhoeven J.W., and Hofstraat J.W. J. Phys. Chem. B 101 (1997) 4913-4916
3. Kükrer Kaletas B., Williams R.M., König B., and De Cola L. Chem. Commun. (Cambridge) (2002) 776-777
4. Steege D.H.A., and Buma W.J. J. Chem. Phys. 118 (2003) 10944-10955
5. Corsaro C., and Parker S.F. Phys. B 350 (2004) 591-593
6. Parker S.F. Spectrochim. Acta A 51 (1995) 2067-2072
7. Parker S.F. Spectrochim. Acta A 63 (2006) 544-549
8. Cox P.J., and Parker S.F. Acta Crystallogr. C 52 (1996) 2578-2580
9. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andrés J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzalez C., and Pople J.A. Gaussian 94, Revision E.3 (1995), Gaussian, Inc., Pittsburgh, PA
10. Harsányi L., Vadja E., and Hargittai I. J. Mol. Struct. 129 (1985) 315-320
11. Rusu V.H., Ramos M.N., and da Silva J.B.P. Int. J. Quantum Chem. 106 (2006) 2811-2817
12. da Silva J.B.P., da Silva Jr. M.R., and Ramos M.N. J. Braz. Chem. Soc. 16 (2005) 844-850
13. Woldbaek T., Klaboe P., and Nielsen C.J. J. Mol. Struct. 27 (1975) 283-301
14. Rogstad A., Klaboe P., Baranska H., Bjarnov E., Christensen D.H., Nicolaisen F., Nielsen O.F., Cyvin B.N., and Cyvin S.J. J. Mol. Struct. 20 (1974) 403-420
15. Mason R. Acta Crystallogr. 14 (1961) 720-724
16. Gussoni M., Ramos M.N., Castiglioni C., and Zerbi G. Chem. Phys. Lett. 142 (1987) 515-518
17. Araújo R.C.M.U., da Silva J.B.P., and Ramos M.N. Spectrochim. Acta A 51 (1995) 821-830
18. Araújo R.C.M.U., and Ramos M.N. J. Mol. Struct. (Theochem.) 366 (1996) 233-240
19. Ramos M.N., Gussoni M., Castiglioni C., and Zerbi G. Chem. Phys. Lett. 151 (1988) 397-402