Andrea Bottoni

Bibliografia per il corso: MECCANISMI DI REAZIONE - a.a. 2011-2012, Prof. Andrea Bottoni)

Bibliografia per il corso:
MECCANISMI DI REAZIONE
(Prof. Andrea Bottoni)

Testi generali di Chimica Organica Superiore e Meccanicistica
(a) T. H. Lowry, K.S. Richardson “Mechanism and Theory in Organic Chemistry” Harper and Row (1987) – Testo disponibile in Biblioteca.
(b) Neil S. Isaacs “Physical Organica Chemistry” Longman Scienitific&Technical - Testo disponibile in Biblioteca
(c) R. W. Alder, R. Baker, J. M. Brown “Meccanismi di Reazione della Chimica Organica” Piccin Editore – Padova.

Teoria PMO
(a) L. Libit, R. Hoffmann J. Am. Chem. Soc. 96, 1371 (1973).
(b) A. Devaquet, L. Salem J. Am. Chem. Soc. 91, 3793 (1969).
(c) R. F. Hudson Angew. Chem Intern. Ed. 12, 36 (1973).
(d) W. L. Jorgensen, L. Salem “The Organic Chemist’s Book of Orbitals” Academic Press (1973) – Testo disponibile in Biblioteca.
(e) "Quantitative Nonempirical Estimates of the Effects of Orbital Interactions. Applications to Difluoroethylenes". F.Bernardi, A.Bottoni, N.D.Epiotis, M.Guerra J.Am.Chem.Soc. 100, 6018-6022 (1978).
(f) "OEMO Analysis of ab-initio SCF-MO Computations. Conformational Preferences and Asymmetries in Methyl Derivatives". F.Bernardi, A.Bottoni J.Mol.Struct. 70, 105-120 (1981).

Teoria FMO
(a) I. Fleming “Frontier Orbitals and Organic Chemical Reactions” John Wiley (1982) – Testo disponibile in Biblioteca.
(b) I. Fleming “Molecular Orbitals and Organic Chemical Reactions” John Wiley.

Regole di Woodward-Hoffmann
(a) R.B. Woodward, R. Hoffmann J. Am. Chem. Soc. 87, 395 (1965).
(b) R.B. Woodward, R. Hoffmann J. Am. Chem. Soc. 87, 2046 (1965).
(c) R.B. Woodward, R. Hoffmann J. Am. Chem. Soc. 87, 2511(1965).
(d) R. B. Woodward, R. Hoffmann “La Conservazione della Simmetria degli Orbitali“ Casa Editrice Ambrosiana – Milano.

Reazioni di Cicloaddizione (lavori teorici)
"The structure of the Singlet Tetramethylene Diradical Intermediate". F.Bernardi, A.Bottoni, G.Tonachini, M.A.Robb, H.B. Schlegel, Chem.Phys.Letters, 108, 599-601 (1984).

"MC-SCF Gradient Calculation of Transition Structures in Organic Reactions". F.Bernardi, A.Bottoni, J.J.W.McDouall, M.A.Robb, H.B.Schlegel, Faraday Symp.Chem.Soc., 19, 137 (1984).

"An MC-SCF Study of the Thermal Cycloaddition of two Ethylenes". F.Bernardi, A.Bottoni, M.A.Robb, H.B.Schlegel, G.Tonachini, J.Am.Chem.Soc., 107, 2260-2264 (1985).

"Towards an Accurate ab-initio Calculation of the Transition State Structures of the Diels-Alder Reaction". F.Bernardi, A.Bottoni, M.A.Robb, M.J.Field, I.H.Hillier, M.F.Guest, J.Chem.Soc.Chem.Commun., 1051-1052 (1985).

"An MCSCF Study of the Diels-Alder Reaction between Ethylene and Butadiene". F.Bernardi, A.Bottoni, A.Venturini, M.A.Robb, M.J.Field, I.H.Hillier, M.F.Guest J.Am.Chem.Soc. 110, 3050-3055 (1988).

"Do Supra-Antara Paths Really Exist for 2+2 Cycloaddition Reactions? Analytical Computations of the MC-SCF Hessians for Transition States of C2H4 with C2H4, Singlet O2 and Ketene". F.Bernardi, A.Bottoni, M.Olivucci, M.A.Robb, H.B.Schlegel, G.Tonachini J.Am.Chem.Soc. 110,5993-5995(1988).

"MCSCF Study of the Cycloaddition Reaction between Ketene and Ethylene". F.Bernardi, A.Bottoni, M.A.Robb, A.Venturini, J.Am.Chem.Soc. 112, 2106-2114 (1990).

"Does a concerted Path Exist for the Head-to-Tail [2?s+2?s] Cycloaddition of Silaethylene?" F.Bernardi, A.Bottoni, M.Olivucci, M.A.Robb, A.Venturini J.Am.Chem.Soc. 115, 3322-3323 (1993).

Testi Generali ove si discute l’applicazione di Metodi QM in Chimica Organica
W.J Hehre, L. Radom, P.V. Schleyer, J.A. Pople “Ab-initio Molecular Orbital Theory” John Wiley – Testo disponibile in Biblioteca.
J. A. Pople, D.L. Beveridge “Approximare Molecular Orbital Theory” Mc.Graw-Hill (1970) – Testo disponibile in Biblioteca.