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Titolo:
Basicity of some organic superbases in acetonitrile
Autore:
Kovacevic, B; Maksic, ZB;
Indirizzi:
Rudjer Boskovic Inst, Quantum Organ Chem Grp, Zagreb 10002, Croatia RudjerBoskovic Inst Zagreb Croatia 10002 hem Grp, Zagreb 10002, Croatia
Titolo Testata:
ORGANIC LETTERS
fascicolo: 10, volume: 3, anno: 2001,
pagine: 1523 - 1526
SICI:
1523-7060(20010517)3:10<1523:BOSOSI>2.0.ZU;2-N
Fonte:
ISI
Lingua:
ENG
Soggetto:
ABSOLUTE PROTON AFFINITY; GAS-PHASE BASICITIES; ELECTRONIC-STRUCTURE; SOLVENT; MOLECULES; PREDICTION; CONTINUUM; SPONGES; SYSTEMS; BASES;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
30
Recensione:
Indirizzi per estratti:
Indirizzo: Maksic, ZB Univ Zagreb, Fac Nat Sci & Math, Zagreb, Croatia Univ Zagreb Zagreb Croatia c Nat Sci & Math, Zagreb, Croatia
Citazione:
B. Kovacevic e Z.B. Maksic, "Basicity of some organic superbases in acetonitrile", ORG LETT, 3(10), 2001, pp. 1523-1526

Abstract

It is shown that the pK(a) values of strong neutral organic (super)bases in acetonitrile are well described by the density functional theory (DFT) employing the isodensity polarization continuum model (IPCM) for treating solvent-solute interactions, High pK(a) values are predicted for two model compounds, and their synthesis is strongly recommended.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 06/04/20 alle ore 23:56:51