Una excursió per muntanyes i valls : Gerdhard Ertl i la química de superfícies

El Nobel de Química del 2007 va premiar el treball de Gerdhard Ertl sobre química de superfícies. S'exposen alguns dels seus resultats i com van ser possibles, així com la seva aplicació en catàlisis heterogènies de processos importants

Structure of (8-amino-5,7-dichloroquinoline)dinitratocopper(II), [Cu(NO3)2(C9H6Cl2N2)]

Mr=400.62, monoclinic, C2/c, a=20.901 (5), b=7.439(2), c=18.708(4)A, β=114.59(3)º, V = 2645 (2)A3, Z = 8, Dx = 2.01Mg m-3, F(000) = 1592, (Mo Ka)= 0.71069 A, µ(Mo Ka)= 2.152 mm-1, room temperature, R=0.016, Rw=0.021 for 1132 observed reflections. The Cu atom displays a distorted octahedral coordination, being linked to four O atoms of two NO3 groups and two N atoms of the aminoquinoline. The different hybridization states of the N atoms produce variations in equatorial Cu-O bond distances, while the apical Cu-O lengths are larger than the equatorial lengths: Cu-Oeq 1.990(2), 2.039(3)A; Cu-Oax 2.488 (3), 2.473 (3) A

[2,6-Bis(2-pyrimidinylthiomethyl)pyridine]dichlorocopper(II) methanol solvate

In the title compound [CuCl2(C15H13N5S2].CH3OH, the Cu2+ ion has square-pyramidal coordination geometry. The basal plane of the pyramid is formed by two Cl- ions, one pyridine N atom and one pyrimidine N atom. The fifth coordination site is occupied by the S atom of a thiomethyl group. The methanol molecule occupies an otherwise empty space in the structure

6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene

The title molecule 6-phenyl-6-phospha-3,9-dithiabicyclo [9.4.0] pentadeca-1(11), 12, 14-triene 6-oxide, C18H21OPS2, has an exodentate conformation, with the S and P atoms oriented away from the centre of the macrocyclic cavity

Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate

The title molecule, C26H26O4S2, assumes C2 symmetry with two C atoms and two H atoms of the central phenyl ring located on the twofold axis. The S atoms are synplanar with the benzene moiety, so the observed geometry is suitable for CS2 coordination. The o-(ethoxycarbonyl)phenylthiomethyl moiety is approximately planar and its orientation is almost perpendicular with respect to the central phenyl group

Bis[1,3-bis(2-hydroxyphenyl)-1,3-propanedionato]bis(ethanol)zinc(II), C34H34O10Zn

Mr=668.0, triclinic, P1, a=13.028 (2), b=11.872(2), c=10.971(2) A, a=102.28 (1), β = 87.14(1), a=112.53(2)º, V = 1530.6(7)A3, Z = 2, Dx = 1.45 Mg m-3, (Mo Ka)=0.71069 A, µ= 0.889 mm-1, F(000)=696, T=295 K. Final R = 0.06 for 3025 observed reflections. The structure consists of chains of molecules parallel to [011] linked by hydrogen bonds. The Zn2+ ion is surrounded by six O atoms in a distorted octahedral shape. The 1,3-bis(2-hydroxyphenyl)-1,3, propanedionato anions act as bidentate ligands. The six-membered Zn-propanedione rings have half-chair form

(Nitrato-κO)(triphenylphosphine-κP){3,6,9-trithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene-κ3S3,6,9}mercury(II) nitrate hydrate hemiethanol solvate

In the title compound [Hg(NO3)(C12H16S3)-(C18H15P)][NO3].H2O.0.5C2H6O, the coordination sphere of the Hg2+ ion is a distorted trigonal bipyramid defined by the three S atoms of the trithiamacrocycle, the P atom of the triphenylphosphine group and an O atom of one nitrate group

6-Oxa-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene

The title molecule, C12H16OS2, is partially disordered with the O and H atoms of the -CH2-O-CH2- group occupying two positions. The molecule assumes C2 symmetry and the twofold axis is located midway through the triene group and across the two partially occupied O-atom positions

Una excursió per muntanyes i valls : Gerdhard Ertl i la química de superfícies

El Nobel de Química del 2007 va premiar el treball de Gerdhard Ertl sobre química de superfícies. S'exposen alguns dels seus resultats i com van ser possibles, així com la seva aplicació en catàlisis heterogènies de processos importants

Structure of (8-amino-5,7-dichloroquinoline)dinitratocopper(II), [Cu(NO3)2(C9H6Cl2N2)]

Mr=400.62, monoclinic, C2/c, a=20.901 (5), b=7.439(2), c=18.708(4)A, β=114.59(3)º, V = 2645 (2)A3, Z = 8, Dx = 2.01Mg m-3, F(000) = 1592, (Mo Ka)= 0.71069 A, µ(Mo Ka)= 2.152 mm-1, room temperature, R=0.016, Rw=0.021 for 1132 observed reflections. The Cu atom displays a distorted octahedral coordination, being linked to four O atoms of two NO3 groups and two N atoms of the aminoquinoline. The different hybridization states of the N atoms produce variations in equatorial Cu-O bond distances, while the apical Cu-O lengths are larger than the equatorial lengths: Cu-Oeq 1.990(2), 2.039(3)A; Cu-Oax 2.488 (3), 2.473 (3) A