Hydrogen bonding and polyurethane morphology. I. Quantum mechanical calculations of hydrogen bond energies and vibrational spectroscopy of model compounds

Polymer

Volumn 43, Issue 24, 2002, Pages 6551-6559

  Ylgor, Emel ^a   Ylgor, Iskender ^a   Yurtsever, Ersin ^a  

^a KOÇ UNIVERSITY   (Turkey)

Author keywords

Hydrogen bonding; Polyurethane; Quantum calculations

Indexed keywords

ETHANOL; HYDROGEN BONDS; POLYETHERS; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS; UREA;

MOLECULAR ORBITAL THEORY;

POLYURETHANES;

ALCOHOL; CARBAMIC ACID; DIMETHYLUREA; ETHER; POLYURETHAN; UREA;

ARTICLE; CALCULATION; ENERGY; HYDROGEN BOND; QUANTUM MECHANICS; QUANTUM THEORY; SPECTROSCOPY; VIBRATION;

BONDING;

EID: 0037037534     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(02)00567-0     Document Type: Article

References (39)

1. Cooper SL, Tobolsky AV. J Appl Polym Sci 1966;10:1837-44.
2. Lelah MD, Cooper SL. Polyurethanes in medicine. Boca Raton, FL: CRC Press; 1986.
3. Hepburn C. Polyurethane elastomers. Essex: Elsevier; 1992.
4. Abouzahr S, Wilkes GL. J Appl Polym Sci 1984;25:2695-702.
5. Yilgor I, Yilgor E. Polym Prepr 2001;42(2):682-3.
6. Garrett JT, Runt J, Lin JS. Macromolecules 2000;33(17):6353-9.
7. Ning L, De-Ning W, Sheng-Kang Y. Polymer 1966;37(16):3577-83.
8. Hsu T, Lee Y. Polymer 1999;40(3):577-87.
9. Yilgor E, Unal S, Makal U, Yilgor I. Polym Prepr 2001;42(1):438-9.
10. Saiani A, Daunch WA, Verbeke H, Leenslang JV, Higgins JS. Macromolecules 2001;34(26):9059-68.
11. Noshay A, McGrath JE. Block copolymers: overview and critical survey. New York: Academic Press; 1977.
12. Privalko V, Azarenkov VP, Baibak AV, Usenko AA. Thermochim Acta 1996;285:155-65.
13. Bonart R. Angew Makromol Chem 1977;58/59:259.
14. Tyagi D, Yilgor I, McGrath JE, Wilkes GL. Polymer 1984;25(12): 1807-16.
15. Yilgor E, Tulpar A, Kara S, Yilgor I. In: Clarson SJ, Fitzgerald JJ, Owen MJ, Smith SD, editors. Silicones and silicone modified materials. ACS symposium series, vol. 729. Washington, DC: ACS; 2000. chapter 26.
16. Yilgor E, Yilgor I. Polymer 2001;42(19):7953-9.
17. Zha L, Wu M, Yang JJ. J Appl Polym Sci 1999;73:2895-902.
18. McClusky JW, Pocol M, Alvarez N. Polym Prepr 1999;39(2):661-2.
19. Coleman MM, Painter PC. Prog Polym Sci 1995;20:1-59.
20. Bras W, Derbyshire GE, Bogg D, Cookie J, Elwell MJ, Komanschek BU, Naylor S, Ryan AJ. Science 1995;267(5200):996-9.
21. Fernandez AM, Lozano AE, Gonzales L, Rodriguez A. Macromolecules 1997;30(12):3584-92.
22. Lee HS, Wang YK, Hsu LS. Macromolecules 1987;20(9):2089-95.
23. Huang SL, Lai YJ. Eur Polym J 1997;33(10-12):1563-7.
24. Van Krevelen DW. Properties of polymers, 3rd ed. Amsterdam: Elsevier; 1990.
25. Sun H. Macromolecules 1993;26(22):5924-36.
26. Furer VL. J Mol Struct 2000;520:117-23.
27. Furer VL. J Mol Struct 1999;476:215-22.
28. Yilgor E, Burgaz E, Yurtsever E, Yilgor I. Polymer 2000;41(3): 849-57.
29. Yilgor E, Yurtsever E, Yilgor I. Polymer 2002; in press.
30. Masunov A, Dannenberg JJ. J Phys Chem A 1999;103(1):178-84.
31. Masunov A, Dannenberg JJ. J Phys Chem B 2000;104(4):806-10.
32. Garton A. Infrared spectroscopy of polymer blends, composites and surfaces. Munich: Hanser; 1992.
33. Coleman MM, Skrovanek DJ, Hu J, Painter PC. Macromolecules 1988;21(1):59-66.
34. Wang CB, Cooper SL. Macromolecules 1983;16(5):775-86.
35. Brunette CM, Hsu SL, MacKnight WJ. Macromolecules 1982;15(1): 2215-21.
36. Teo LS, Chen CY, Kuo JF. Macromolecules 1997;30(6):1793-9.
37. Yen FS, Hong JL. Macromolecules 1997;30(25):7927-38.
38. Yen FS, Ling LL, Hong JL. Macromolecules 1999;32(9):3068-79.
39. Keuleers R, Desseyn HD, Rousseau B, Van Alsenoy C. J Phys Chem A 1999;103(24):4621-30.