Computational study of hydrogen bonding on calix[8]arene as nanostructure compound

International Journal of Physical Sciences

Volumn 6, Issue 16, 2011, Pages 4063-4066

  Monajjemi, M ^a   Sayadian, M ^a   Zare, K ^a   Ilkhani, A R ^b   Mollaamin, F ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Calix 8 arene; HF; Hydrogen bonding; Nanostructure

Indexed keywords

EID: 80052647355     PISSN: 19921950     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. Aiping F, Dongmei D, Zhengyu Z (2003). Density functional theory study of vibrational spectra of acridine and phenazine. Spectrochimica Acta Part A. 59: 245-253.
2. Baldini L, Sansone F, Casnati A, Ugozzoli F, Ungaro R (2002). Peptidocalix[4]arene self-assembled nanotubes. J. Upram. Chem., 2: 219-226.
3. Barton TJ, Bull LM, Klemperer WG, Loy DA, McEnaney B, Misono M, Monson PA, Pez G, Scherer GW, Vartuli JC, Yaghi OM (1999). Tailored porous materials. Chem. Mater., 11:2633-56.
4. Baur M, Frank M, Schatz J, Schildbach F (2001). Water-soluble calix[n]arene as receptor molecules for non-polar substrates and inverse phase-transfer catalyst. Tetrahedron, 57: 6985.
5. Becke AD, Cheill J (1993). Density-functional thermochemistry. III. The role of exact exchange. Phys., 98: 5648.
6. Bong DT, Clark TD, Granja JR, Ghadiri MR (2001). Self-assembling organic nanotubes. Angew. Chem. Int. Ed., 40: 988-1011.
7. Hosseini MW, De Cian A (1998). Molecular Tectonics: An Approach to Organic Networks. Chem. Commun., 3: 727-733.
8. Hu S, Xu C, He Y, Meng L, Cui D (2000). Electrocatalytic reduction of dioxygen at the surface of glassy carbon electrodes modified by calix[6]arene-methyl viologen. Microchem. J., 65: 311.
9. Langley PJ, Hulliger J (1999). Nanoporous and mesoporous organic structures: new openings for materials research. Chem. Soc. Rev., 28: 279-91.
10. MacGillivery LR, Atwood JL (1999). Structural classification and general principles for the design of spherical molecular hosts. Angew. Chem. Lnt. Ed., 38: 1018-77.
11. Meng Y, Zhou Z, Duan C, Wang B, Zhong Q (2005). Non-convertional hydrogen bonding intraction of BH3NH3 complexes: a comparative theoretical study. J. Molecular struct:THEOCHEM. 713: 135-144.
12. Mislin G, Graf E, Hosseini MW, CianA De, Fischer J (1999). Tetrasuifinylcalix[4]arenes: Synthesis and Solid State Structural Analysis. Tetrahedron Lett., 40:1129-1132.
13. Monajjemi M, Saedi L, Najafi F Mollaamin F(2010). Physical properties of active site of tubulin-binding as anticancer nanotechnology investigation. Int. J. Phys. Sci.,5(10): 1609-1621.
14. Monajjemi M, Chahkandi B (2004). Study of the hydrogen bond in different orientations of adenine-thymine base pairs: an ab initio study, J. Mol. Struct. (THEOCHEM), 714: 43.
15. Monajjemi M, Chahkandi B, Zare K, Amiri A (2005). Study of the Hydrogen Bond in Different Orientations of Adenine-Thymine Base Pairs: an ab initio Study. Biochemistry (Moscow), 70(3): 366-376.
16. Monajjemi M, Heshmat M, Aghaei H, Ahmadi R, Zare K (2007). Solvent effect on 14N NMR shielding of glycine, serine, leucine, and threonine: comparison between chemical shifts and energy versus dielectric constant, Bull. Chem. Soc. Ethiopia. 21: 111-116.
17. Monajjemi M, Ketabi S, Hashemian MZ, Amiri A (2006). Simulation of DNA Bases in Water:Comparison of the Monte Carlo Algorithm with Molecular Mechanics Force Fields, Biochemistry (Moscow), 71: 1.
18. Monajjemi M, Lee VS, Khaleghian M, Honarparvar B, Mollaamin F (2010). Theoretical Description of Electromagnetic Nonbonded Interactions of Radical, Cationic, and Anionic NH2 BHNBHNH 2 Inside of the B 18 N18Nanoring. J. Phys. Chem. C., 114: 15315-15330.
19. Monajjemi M, Mahdavian L, Mollaamin F (2008). Characterization of nanocrystalline cylicon germanium film and nanotube in adsoption gas by monte carlo and langevin dynamic simulation. Bull. Chem. Soc. Ethiop., 22: 1-10.
20. Monajjemi M, Rajaeian E, Mollaamin F, Naderi F, Saki S (2008). Investigation of NMR shielding tensors in 1,3 dipolar cycloadditions: solvents dielectric effect. J. Phys. Chem. Liquids. 46(3): 299-306.
21. Nangia A (2001). Organic nanoporous structures. Current Opinion in Solid State Mat. Sci., 5: 115-122.
22. Pailleret A, Arrigan DWM (2001). Electrochemical oxidation of a tetraester calix[4]arene. Elect. Commun., 3: 24.
23. Schatz J, Schildbach F (1998). Thermal Gravimetry, Mass Spectrometry, and Solid State 13C NMR Spectroscopy-Simple and Efficient Methods to Characterise the Inclusion Behaviour of p-tert-Butylcalix[n]arenes. J. Chem. Soc. Perkin Trans., 2:75.
24. Takaya M, Buhlmann P, UmezawaY, (2003). Ion-Channel-Mimetic Sensors Based on Self-Assembled Monolayers of Phosphate Esters: High Selectivity for Trivalent Cations. Micro. Acta., 132: 55-60.
25. Zhou XF, Liu RF (1997). Density functional theory study of vibrational spectra, 6: assignment of fundamental vibrational frequencies of benzene isomers: Dewar benzene, benzvalene, trimethylenecyclopropane, prismane, and 3,4-dimethylenecyclobutene. Spectrochim. Acta Part A. 53:259.