Hydrogen-bonding interactions in acetonitrile oligomers using density functional theory method

Structural Chemistry

Volumn 23, Issue 3, 2012, Pages 637-644

  Kharat, Bhagwat ^a   Deshmukh, Vinayak ^b   Chaudhari, Ajay ^c  

^a L B S Sr College   (India)

^b Shri Siddheshwar College   (India)

^c SWAMI RAMANAND TEERTH MARATHWADA UNIVERSITY   (India)

Author keywords

Acetonitrile oligomers; Binding energy; DFT; Hydrogen bonding; Hydrogen bond cooperativity; Many body interaction

Indexed keywords

EID: 84867230119     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9909-6     Document Type: Article

References (54)

1. Bladon P, Griffin AC (1993) Macromolecules 26:6604
2. Shih RS, Lu CH, Kuo SW, Chang FC (2010) J Phys Chem C 114:2855
3. Kuo SW, Tung PH, Chang FC (2009) Eur Polym J 45:1924
4. Rakotondradany F, Whitehead MA, Leburs AM, Sleiman HF (2003) Chem Eur J 9:4771
5. Berl V, Huc I, Khoury RG, Krische MJ, Lehn JM (2000) Nature 407:720
6. Berl V, Schmutz M, Krische MJ, Khoury RG, Lehn JM (2002) Chem Eur J 8:1227
7. Lagowski JB (2002) J Mol Struct 589-590:125
8. Hassan S, Mohammmad RN (2003) J Mol Struct 626:143
9. Gambi A, Giumanini AG, Strazzolini P (2001) J Mol Struct 536:9
10. Malysheva L, Klymenko Y, Onipko A, Valiokas R, Licedber B (2003) Chem Phys Lett 370:451
11. Balbas A, Gonzales Tejera MJ, Tortajada J (2001) J Mol Struct 572:141
12. Groves C, Lewars E (2000) J Mol Struct 530:265
13. Pires MM, DeTuri VF (2007) J Chem Theor Comput 3:1073
14. Wu H, Chaudhari A, Lee SL (2005) J Comput Chem 26:1543
15. Sengwa RJ, Kaur K, Chaudhari R (2000) Polym Int 49:599
16. Sengwa RJ, Kaur K (2000) Polym Int 49:1314
17. Sengwa RJ (2004) Polym Int 53:744
18. Sengwa RJ (1998) Polym Int 45:43
19. Sengwa RJ, Chaudhari R (2001) Polym Int 50:433
20. Greenwood NN, Earnshaw A (1984) Chemistry of the elements. Pergamon, Oxford, p 341
21. Moffat JB, Vogt C (1970) J Mol Spectrosc 33:494
22. Riggs NV, Radom L (1985) Aust J Chem 38:835
23. Saebo S, Farnell L, Riggs NV, Radom L (1984) J Am Chem Soc 106:5047
24. Scheiner S (1997) Hydrogen bonding: a theoretical perspective. Oxford University Press, Oxford
25. Smith DA (ed) (1994) Modeling the hydrogen bond, ACS Symposium Series, No. 569, American Chemical Society, Washington
26. Jeffrey GA (1997) An introduction to hydrogen bonding. Oxford University Press, New York
27. Brunsveld L, Folmer BJB, Meijer EW, Sijbesma RP (2001) Chem Rev 101:4071
28. Ilhan F, Galow TH, Gray M, Clavier G, Rotello VM (2000) J Am Chem Soc 122:5895
29. Xantheas SS (1994) J Chem Phys 100:7523
30. Xantheas SS (2000) Chem Phys 258:225
31. Xantheas SS, Dunning TH Jr (1993) J Chem Phys 99:8774
32. Kulkarni A, Ganesh V, Gadre SR (2004) J Chem Phys 121:5043
33. Chaudhari A, Lee SL (2004) J Chem Phys 120:7464
34. Chaudhari A, Sahu PK, Lee SL (2004) J Chem Phys 120:170
35. Boo DW (2001) Bull Korean Chem Soc 22:693
36. Chaudhari A, Meraj G, Lee SL (2010) J Mol Mod 16:1559
37. Milet A, Moszynski R, Wormer PES, van der Avoird AJ (1999) J Phys Chem A 103:6811
38. Chaudhari A, Lee SL (2010) J Theo and Comp Chem 9:177
39. Chaudhari A, Sahu PK, Lee SL (2005) Int J Quant Chem 101:67
40. Chaudhari A, Sahu PK, Lee SL (2004) J Mo Struc Theochem 683:115
41. Chaudhari A, Lee SL (2005) Chem Phys 310:281
42. Chaudhari A, Lee SL (2005) Int J Quant Chem 102:174
43. Mierzwicki K, Latajka Z (2000) Chem Phys Lett 325:465
44. Chaudhari A, Lee SL (2005) Int J Quant Chem 102:106
45. Chaudhari A (2010) Int J Quant Chem 110:1092
46. Chaudhari A, Naganathappa M, Shinde MN, Kumbharkhane AC (2011) Int J Quant Chem 111:2972
47. Boys SF, Bernardi F (1970) Mol Phys 19:553
48. Valiron P, Mayer I (1997) Chem Phys Lett 275:46
49. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES and Pople JA (2003) Gaussian 03. Rev. E.01, Gaussian Inc., Pittsburgh
50. Costain CC (1958) J Chem Phys 29:864
51. Steiner PA, Gordy W (1966) J Mol Spectrosc 21:291
52. Quinet O, Champagne B (2006) J Chem Phys 124:244312
53. Herzberg G (1945) Molecular spectra and molecular structure, II. Infrared and Raman spectra of polyatomic molecules. VNR, New York, p 84
54. Bernstein MP, Bauschlicher CW Jr, Sandford SA (2004) Adv Space Res 33:40