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Titolo:
Evaluation of the stereoelectronic parameters of fluorinated phosphorus(III) ligands. The quantitative analysis of ligand effects (QALE)
Autore:
Fernandez, AL; Wilson, MR; Prock, A; Giering, WP;
Indirizzi:
Boston Univ, Metcalf Ctr Sci & Engn, Dept Chem, Boston, MA 02215 USA Boston Univ Boston MA USA 02215 i & Engn, Dept Chem, Boston, MA 02215 USA
Titolo Testata:
ORGANOMETALLICS
fascicolo: 16, volume: 20, anno: 2001,
pagine: 3429 - 3435
SICI:
0276-7333(20010806)20:16<3429:EOTSPO>2.0.ZU;2-7
Fonte:
ISI
Lingua:
ENG
Soggetto:
TERTIARY PHOSPHINE-LIGANDS; N-PYRROLYL PHOSPHINES; PI-ACCEPTOR CHARACTER; R = CY; SUBSTITUTION-REACTIONS; ORGANORUTHENIUM THERMOCHEMISTRY; PHOTOELECTRON-SPECTRA; L(2)FE(CO)(3) SYSTEM; MOLECULAR-STRUCTURE; PR-I;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
86
Recensione:
Indirizzi per estratti:
Indirizzo: Prock, A Boston Univ, Metcalf Ctr Sci & Engn, Dept Chem, Boston, MA 02215 USA Boston Univ Boston MA USA 02215 Dept Chem, Boston, MA 02215 USA
Citazione:
A.L. Fernandez et al., "Evaluation of the stereoelectronic parameters of fluorinated phosphorus(III) ligands. The quantitative analysis of ligand effects (QALE)", ORGANOMETAL, 20(16), 2001, pp. 3429-3435

Abstract

Using the QALE model, we determined the QALE stereoelectronic parameters for the following ligands: P(CF3)(3) (chi (d) = 33 +/- 2, theta = 137 +/- 13degrees, E-ar = 0, pi (p) = 11.1 +/- 0.6), P(CH2CH2C6F13)(3) (chi (d) = 9 /- 3, theta = 137 +/- 2 degrees, E-ar = 0, pi (p) = 2.5 +/- 0.4), P[p-(F13C6)C6H4](3) (chi (d) = 23 +/- 1, theta = 145 degrees, E-ar = 2.7, pi (p) = 0), and P(C6F5)(3) (chi (d) = 34 +/- 2, theta = 191 +/- 13 degrees, E-ar = 4.3 +/- 0.5, pi (p) = 0). In addition, we evaluated the parameters for P[Pyr-3,4-(CO2Et)(2)](3) (Pyr = pyrrolyl; chi (d) = 43 +/- 2, theta = 145 degrees, E-ar = 3.3, pi (p) = 2 +/- 1). Revised parameters for PF3 are also presented: chi (d) = 33 +/- 2, theta = 110 +/- 24 degrees, E-ar = 0, pi (p) = 13.2 +/- 0.5. The absence of an indicated error means that these values wereassigned initially to the particular parameters in the analyses or that the parameters are statistically indistinguishable from zero. Where a comparison can be made, we find that our calculated values of theta are indistinguishable from those of Tolman; therefore, we suggest the continued use of Tolman's values. It is observed that,the perfluoroalkyl groups are highly pi acidifying and that this effect is transmitted through intervening CH2 groups.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/01/21 alle ore 06:53:39