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Master's Dissertation
DOI
10.11606/D.54.1986.tde-10042014-093834
Document
Author
Full name
Lenilda Austrilino Silva
Institute/School/College
Knowledge Area
Date of Defense
Published
São Carlos, 1986
Supervisor
Committee
Castellano, Eduardo Ernesto (President)
Lechat, Johannes Rudiger
Schpector, Julio Zukerman
Title in Portuguese
Determinação da estrutura de uma série de tri(hidroximetil) amino metano complexados com íons metálicos (Cu, Ag, Ni, Zn)
Keywords in Portuguese
Complexos de Cu Ag Ni e Zn
Difração de raios-X
Abstract in Portuguese
As estruturas do tri(hidroximetil) amino metano complexado com cobre Cu(II), Cu[NH2C(COH3)3]2+H2O e do tri(hidroximetil)amino metano dopado com prata Ag(I), Ag[NH2C(COH3)3] foram determinados por difração de raios-x. O complexo contendo íons de cobre refinou até um R de 0.034 e foram encontradas as seguintes características principais: sistema cristalino monoclínico; grupo espacial C2/c, a=12.955(2)Å b=10.793(1)Å c=10.091(2)Å β=116.62° V=1261.3(6)Å3; Z=4; xDc=1.694(2)g/cm-3; λ(KαMo)=0.71073Å das reflexões medidas 1441 tinham I> 3δ (I). O íon de cobre está coordenado por pares de átomos de oxigênio e nitrogênio os quais formam uma pirâmide de base quadrada, o oxigênio da molécula de água ocupa o outro vértice da pirâmide. A determinação dessa estrutura é utilizada na interpretação da formação de complexos de cobre com tri(hidroximetil) amino metano em função do pH. A estrutura do tri(hidroximetil) amino metano dopado com prata apresentou as seguintes características: sistema cristalino ortorrômbico; grupo espacial Pna21; a=7.800(2)Å b=8.810(3)Å c=8.850(2)Å V=608.85(4)Å3; Dc=1.329g/cm-3; Dm=1.337g/cm-3; 435 reflexões com I> 3δ (I); R=0.13; o carbono central é coordenado tetraedricamente por três átomos de carbono do tri(hidroximetil) e um nitrogênio do grupo amino. As estruturas do tris dopado com níquel, e do tris dopado com zinco apresentam-se isomorfa com a estrutura do tris dopado com prata.
Title in English
X-ray crystal structures of Cu, Ag, Ni and Zn íons with tri(hidroximetil) amino methane
Keywords in English
Copper silver niquel and zinc complexes
X-ray diffraction
Abstract in English
The crystal structures of the tri(hydroxymethyl) amine methane complexed with cooper Cu[NH2C(COH3)3]2+H2O and the silver Ag[NH2C(COH3)3] doped into the tri(hydroxymethyl) amine methane have been determined by x-ray diffraction. The complex involving Cu++ refined to final R-factor of 0.034, and the following main features were found: the crystal system is monoclinic and its space group is C2/c, a=12.955(2)Å b=10.793(1)Å c=10.091(2)Å β=116.62° V=1261.3(6)Å3; Z=4; Dc=1.694(2)g/cm-3; λ(KαMo)=0.71073Å from measures done, 1441 had I> 3δ (I). The Cu++ is coordinated by couples of atoms of oxygen and nytrogen, which form a base of a quadrangular pyramid, the pyramid vertex is formed by the oxygen of the water molecule. The determination of this structure is used to interpret the rise of tri(hydroxymethyl) amine methane and complexed with Cooper varying the pH. The silver doped into the structures of tris(hydroxymethyl) amine methane presented the following features: crystal system is orthorrombic; space group is Pna21; a=7.800(2)Å b=8.810(3)Å c=8.850(2)Å V=608.85(4)Å3; Dc=1.329 g/cm-3; Dm=1.337 g/cm-3; R=0.13; 435 reflections with I> 3δ (I) the central carbon is coordinated tetrahedrally by three atoms of carbon from tri(hydroxymethyl) and a nitrogen from the amine group.
 
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Publishing Date
2014-04-10
 
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