Novel Hexacoordinate Diorganosilanes with Salen-Type Ligands: Molecular Structure versus29Si NMR Chemical Shifts

2005 ◽  
Vol 631 (13-14) ◽  
pp. 2907-2913 ◽  
Author(s):  
Jörg Wagler ◽  
Uwe Böhme ◽  
Erica Brendler ◽  
Steffen Blaurock ◽  
Gerhard Roewer
Keyword(s):  
Molecular Structure ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts

Polyhedral platinadicarbaborane chemistry. The molecular structure and some NMR properties of [9,9-(PPh3)2-arachno-9,5,6-PtC2B7H11]

1991 ◽  
Vol 56 (3) ◽  
pp. 646-656 ◽  
Author(s):  
Bohumil Štíbr ◽  
Karel Baše ◽  
Tomáš Jelínek ◽  
Xavier L. R. Fontaine ◽  
John D. Kennedy ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Room Temperature ◽  
Benzene Solution ◽  
Chemical Shifts ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Nmr Chemical Shifts ◽  
H Nmr ◽  
Open Face ◽  
Nmr Properties

The reaction of [Pt(PPh3)4] with [arachno-4,5-C2B7H13] in benzene solution at room temperature yields the arachno ten-vertex platinadicarborane [9,9-( PPh3)2-arachno-9,5,6-PtC2B7H11] as white air-stable needles (80%). Crystals are monoclinic, space group P21/n, with a = 1 433.9(3), b = 1 495.9(3), c = 1 852.5(4) pm, β = 105.89(2)°, and Z = 4. From 5 193 observed [I < 2σ(I)] data, the final R(RW) were 0.0376(0.0374) (406 variables). The structure is based on an arachno {B10H142-}-type ten-vertex {PtC2B7} skeleton with the Pt and two C atoms respectively in the 9,5 and 6 positions in the open face. The assigned 11B and 1H NMR chemical shifts have been measured and are briefly compared to those of the [arachno-4,5-C2B7H13] substrate.

MOLECULAR STRUCTURE OF HETEROCYCLES. V. SOLVENT EFFECTS ON THE 17O NMR CHEMICAL SHIFTS OF 5-TRICHLOROMETHYL-5-HYDROXY-4, 5-DIHYDROISOXAZOLES†

2001 ◽  
Vol 34 (3) ◽  
pp. 375-385 ◽  
Author(s):  
Marcos A. P. Martins ◽  
Rogério A. Freitag ◽  
Nilo E.K. Zimmermann ◽  
Adilson P. Sinhorin ◽  
Wilson Cúnico ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solvent Effects ◽  
Chemical Shifts ◽  
17O Nmr ◽  
Nmr Chemical Shifts

scholarly journals Molecular Structure of Heterocycles: 6. Solvent Effects on the 17O Nmr Chemical Shifts of 5-Trichloromethylisoxazoles

2001 ◽  
Vol 12 (6) ◽  
pp. 804-808 ◽  
Author(s):  
Marcos A. P. Martins ◽  
Rogério A. Freitag ◽  
Nilo E. K. Zimmermanna ◽  
Adilson P. Sinhorin ◽  
Wilson Cúnico ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solvent Effects ◽  
Chemical Shifts ◽  
17O Nmr ◽  
Nmr Chemical Shifts

MOLECULAR STRUCTURE OF HETEROCYCLES:17O NMR CHEMICAL SHIFTS: TORSION ANGLE RELATIONSHIPS IN 3-ALKYL SUBSTITUTED 4,5-DIHYDROISOXAZOLES AND ISOXAZOLES†

2001 ◽  
Vol 34 (6) ◽  
pp. 729-736 ◽  
Author(s):  
Marcos A. P. Martins ◽  
Rogério A. Freitag ◽  
Nilo E. K. Zimmermann ◽  
Adilson P. Sinhorin ◽  
Wilson Cúnico ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Torsion Angle ◽  
Chemical Shifts ◽  
17O Nmr ◽  
Nmr Chemical Shifts

Relativistic and Dynamic effects are needed to correctly model the 1H NMR Chemical Shifts of an Iridium Polyhydride Cluster

2020 ◽  
Author(s):  
Abril C. Castro ◽  
David Balcells ◽  
Michal Repisky ◽  
Trygve Helgaker ◽  
Michele Cascella
Keyword(s):  
1H Nmr ◽  
Chemical Shifts ◽  
Dynamic Effects ◽  
Nmr Chemical Shifts
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