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Master's Dissertation
DOI
10.11606/D.54.1983.tde-27032015-173704
Document
Author
Full name
Aurea Tamae Inumaru
E-mail
Institute/School/College
Knowledge Area
Date of Defense
Published
São Carlos, 1983
Supervisor
Committee
Castellano, Eduardo Ernesto
Nascimento, Otaciro Rangel
Paoli, Marco Aurelio de
Title in Portuguese
Determinação das estruturas cristalinas e moleculares de dois complexos resultantes da reação de bis (muconato de dietila) monocarbonilferro com ligantes heterocíclicos nitrogenados monodentados, por difração de raios-x
Keywords in Portuguese
Não disponível
Abstract in Portuguese
As estruturas cristalinas do (muconato de dietila) (quinolina) dicarbonilferro e do (muconato de dietila)(pirazina) dicarbonilferro foram determinadas, a partir de dados difratométricos de raios-x, usando o método do átomo pesado. (Muconato de dietila) (quinolina) dicarbonilferro. C21H21O6 NFe. Sistema cristalino: triclínico; grupo espacial P1; a= 7.766(2), b= 9.664(2), c= 14.917(2)Å, α= 84.12(2), β= 74.99(2), γ= 76.54(2)°, V= 1050.6(5)Å3, Z= 2, Dc= 1.382Mg.m-3, λ(MoKα)= 0.71073Å, μ(MoKα)= 0.78mm-1. O índice de discordância atingido foi de R=0.058 para 1589 reflexões com I > 3ο(I). (Muconato de dietila) (pirazina) dicarbonilferro. C16H18O6 N2Fe. Sistema cristalino: monoclínico; grupo espacial P21/C; a= 10.390(2), b= 19.754(4), c= 9.051(2)Å, β= 108.27(2)°, V= 1764(1)Å3, Z= 4, Dc= 1.469Mg.m-3, λ(MoKα)= 0.71073Å, μ(MoKα)= 0.92mm-1. O índice de discordância atingido foi de R=0.066 para 967 reflexões com I > 3ο(I). Em ambos compostos os átomos de Fe° aparece penta coordenado na forma de uma pirâmide de base quadrada, sendo que o átomo de nitrogênio ocupa a posição apical no caso da pirazina e uma das posições basais no caso da quinolina
Title in English
Not available
Keywords in English
Not available
Abstract in English
The crystal structures of (diethylmuconate)(quinoline)dicarboniliron and (diethyl muconate) (pyrazine) dicarboniliron have been determined from diffractometric X-ray data using the heavy atom method. (Diethylmuconate)(quinoline)dicarboniliron C21H21O6 NFe. Crystal system: triclinic; space group P1; a= 7.766(2), b= 9.664(2), c= 14.917(2)Å, α= 84.12(2), β= 74.99(2), γ= 76.54(2)°, V= 1050.6(5)Å3, Z= 2, Dc= 1.382Mg.m-3, λ(MoKα)= 0.71073Å, μ(MoKα)= 0.78mm-1. The final R-factor was 0.058 for 1589 reflections with I > 3ο(I). (diethyl muconate) (pyrazine) dicarboniliron . C16H18O6 N2Fe. Crystal system: monoclinic; space group P21/C; a= 10.390(2), b= 19.754(4), c= 9.051(2)Å, β= 108.27(2)°, V= 1764(1)Å3, Z= 4, Dc= 1.469Mg.m-3, λ(MoKα)= 0.71073Å, μ(MoKα)= 0.92mm-1. The final R-factor was 0.066 for 967 reflections with I > 3ο(I). In both compounds the Fe° atom is penta coordinated in the form of a quadrangular pyranid, being that the nitrogen atom occupies the apical position in the pyrazine complex and one of the basal positions in the quinoline case.
 
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Publishing Date
2015-03-31
 
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