Molecular structure and electronic structure of 2-pyridine-carbaldehyde thiosemicarbazone

1987 ◽  
Vol 28 (1) ◽  
pp. 119-121 ◽  
Author(s):  
V. N. Biyushkin ◽  
Yu. M. Chumakov ◽  
N. M. Samus' ◽  
I. D. Baka
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Pyridine Carbaldehyde

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.

Electronic structure of alkylated imidazoles and electronic spectra of tetrakis(imidazole)copper(II) complexes. Molecular structure of tetrakis(1,4,5-trimethylimidazole)copper(II) diperchlorate

1983 ◽  
Vol 105 (12) ◽  
pp. 3860-3866 ◽  
Author(s):  
Ernest Bernarducci ◽  
Parimal K. Bharadwaj ◽  
Karsten Krogh-Jespersen ◽  
Joseph A. Potenza ◽  
Harvey J. Schugar
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Electronic Spectra

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.

Ab initio Studies of Molecular Structure and Electronic Structure for Triazine Dithiol

2002 ◽  
Vol 2002.15 (0) ◽  
pp. 177-178
Author(s):  
Naoyuki HAMADA ◽  
Tokuteru UESUGI ◽  
Hideya TORII ◽  
Kenji HIGASHI
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Ab Initio
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