A theoretical study of the solvent effect on Diels-Alder reaction in room temperature ionic liquids using a supermolecular approach

Theoretical Chemistry Accounts

Volumn 123, Issue 3-4, 2009, Pages 347-352

  Bini, Riccardo ^a   Chiappe, Cinzia ^a   Mestre, Veronica L ^b   Pomelli, Christian S ^a   Welton, Thomas ^b  

^a UNIVERSITY OF PISA   (Italy)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Ab initio calculations; Diels Alder reaction; Ionic liquids

Indexed keywords

EID: 67449123323     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0525-0     Document Type: Article

References (8)

1. R Bini C Chiappe V Llopsis Mestre CS Pomelli T Welton 2008 Org Biomol Chem 6 2522 10.1039/b802194e
2. J Tomasi B Mennuci R Cammi 2005 Chem Rev 105 2999 10.1021/cr9904009
3. C Wakai R Oleinikova M Ott H Weingärtner 2005 J Phys Chem B 109 17028 10.1021/jp053946+
4. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian, Inc., Wallingford, Gaussian 03, Revision C.02
5. R Bini O Bortolini C Chiappe D Pieraccini T Siciliano 2007 J Phys Chem B 111 598 10.1021/jp0663199
6. O Acevedo WL Jorgensen JD Evanseck 2007 J Chem Theory Comput 3 132 10.1021/ct6002753
7. H Sun D Zhang C Ma C Liu 2007 Int J Quantum Chem 107 1875 10.1002/qua.21331
8. Glendening ED, Badenhoop JK, Reed AE, Carpenter JE, Bohmann JA, Morales CM, Weinhold F (2001) Theoretical Chemistry Institute, University of Wisconsin, Madison, NBO 5.0.