Synthesis and crystal and molecular structure of [(Ph3P)2N+][S4N-] and the electronic structure of the planar acyclic anion, S4N-

1980 ◽  
Vol 102 (18) ◽  
pp. 5773-5781 ◽  
Author(s):  
T. Chivers ◽  
W. G. Laidlaw ◽  
R. T. Oakley ◽  
M. Trsic
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Crystal And Molecular Structure

Synthese und Molekülgeometrie von Dichloro[η2-bis(di-r-butylphosphino)methan]pIatin(II), Pt(dtbpm)Cl2. Die Elektronenstruktur von 1,3-Diphosphaplatinacyclobutan-Fragmenten / Synthesis and Molecular Structure of Dichloro[η2-bis(di-t-butylphosphino)methane]platinum(II), Pt(dtbpm)Cl2. The Electronic Structure of 1,3-Diphosphaplatinacyclobutane Fragments

1987 ◽  
Vol 42 (4) ◽  
pp. 395-409 ◽  
Author(s):  
Peter Hofmann ◽  
Helmut Heiß ◽  
Gerhard Müller
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Crystal And Molecular Structure ◽  
Cone Angle ◽  
Membered Ring ◽  
Experimental Investigations ◽  
Molecular Orbital Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Potential Precursor

Based upon the experimentally known but yet unexplained very different reactivities of the two isoelectronic and isolobal intermediates Pt(PMe3)2 and Pt(PEt3)2, the electronic structure and bonding capability of such 14 electron fragments as a function of their geometry (P-Pt-P angle α, determined by the phosphane cone angle) are investigated using molecular orbital calculations. A decrease of the P-Pt -P angle leads to an exceptionally pronounced energy ascent of the b2-HOMO of Pt(PR3)2 species, which, as a consequence, might lead to unusual reactivity patterns and bonding capabilities of 1,3-diphosphaplatinacyclobutane fragments, for which an extreme electronic situation is enforced by steric constraints. Dichloro[η2-bis(di-r-butylphosphino) methane]platinum(II), Pt(dtbpm)Cl2, is synthesized as a potential precursor of Pt(dtbpm), in order to allow experimental investigations of this taylor made four-membered ring chelate complex of Pt(0). The crystal and molecular structure of Pt(dtbpm)Cl2 · 2 CHCl3 has been determined by X-ray diffraction.

Molekül-und Elektronenstruktur des Thioheteroanions [S2 WS2CoS2WS2]2- / Molecular and Electronic Structure of the Thiohetero Anion [S2WS2CoS2WS2]2-

1978 ◽  
Vol 33 (9) ◽  
pp. 978-982 ◽  
Author(s):  
A. Müller ◽  
N. Mohan ◽  
H. Bögge
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Complex Anion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Data Space ◽  
Molecular And Electronic Structure

Abstract The crystal and molecular structure of [(C6H5)4P]2[Co(WS4)2] was determined from single crystal X-ray diffraction data (space group P21/c with a = 18.542(4), b = 15.443(2), c= 18.713(2) Å, β= 108.73(1)°, Z = 4). In the complex anion Co is coordinated by two bidentate chelating WS42- anions, with a nearly tetrahedral surrounding of Co. The bond lengths in the planar metal sulfur ring CoS2W are Co-S = 2.26 Å and W-S = 2.22 Å, while the terminal W-S bonds are 2.14 Å.

Crystal and molecular structure and electronic structure of a copper(II) complex with 10-(1-phthalazinylazo)-9-phenanthrol (HL) [Cu2(L)2(H2O)4](ClO4)2

2013 ◽  
Vol 58 (12) ◽  
pp. 1457-1464 ◽  
Author(s):  
R. V. Linko ◽  
V. I. Sokol ◽  
N. A. Polyanskaya ◽  
M. A. Ryabov ◽  
P. V. Strashnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Crystal And Molecular Structure

The crystal and molecular structure of (4-diethylaminophenyl)diazenyltriphenylphosphonium tetrafluoroborate

1978 ◽  
Vol 56 (7) ◽  
pp. 891-895 ◽  
Author(s):  
Frederick W. B. Einstein ◽  
Derek Sutton ◽  
Peter L. Vogel
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Hydrogen Atoms ◽  
Full Matrix ◽  
Bond Lengths ◽  
A Cell ◽  
Automatic Diffractometer

The title compound crystallizes in the space group P21/c with four formula units in a cell of dimensions a = 10.146(6) Å, b = 10.593(4) Å, c = 26.31(1) Å, β = 103.14(3)°. Using 1496 observed reflections (I = 2.3σ(I)) in the range 0° < 2θ < 40° measured on a Picker FACS-1 automatic diffractometer with Mo-Kα radiation, the structure was solved (symbolic addition) and refined (full-matrix least-squares procedure) to R = 0.062 (Rw = 0.058), with all hydrogen atoms included and all non-hydrogen atoms having anisotropic thermal parameters. The dimensions within the cation are consistent with a delocalized electronic structure which is intermediate between valence formulations involving benzenoid or quinonoid structures for the (4-diethylaminophenyl)diazenyl residue. Some important bond lengths are N3—C22 1.336(7) Å, N2—C19 1.356(7) Å, N1—N2 1.308(6) Å, and P—N1 1.648(5) Å.

Kristall- und Molekülstruktur des Chlorodinitrosyltriphenylphosphineisens(-I) / Crystal and Molecular Structure of Chlorodinitrosyltriphenylphosphineiron(-I)

1975 ◽  
Vol 30 (3-4) ◽  
pp. 149-154 ◽  
Author(s):  
Jürgen Kopf ◽  
Jörn Schmidt
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Unit Cell ◽  
Mirror Plane ◽  
Fourier Methods ◽  
Trigonal Pyramid ◽  
Dinitrosyl Complexes

Crystals of [Fe(NO)2PØ3Cl] are monoclinic with a = 1.6265(7) [nm], b = 1.4495(7) [nm], c = 1.5609(6) [nm] and β= 96.86(2) deg.; the space group is C 2/c. The structure was determined by three dimensional Patterson and Fourier methods on the basis of 2266 independent intensities. The unit cell consists of 8 isolated molecules. Within the coordination polyhedron, a distorted trigonal pyramid, the Cl, Fe, P plane approximately represents a mirror plane of the molecule. The nitrosyl ligands are bent towards each other with an N-Fe-N angle of 115.6(3) and Fe-N-O angles of 166.4(5) and 165.5(5) deg. The geometry of the molecule is discussed with regard to other dinitrosyl complexes and to electronic structure.

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