Tetrakis(.beta.-diketonate)dimolybdenum complexes. Preparations, properties, and solid-state and molecular structure of tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)dimolybdenum

1992 ◽  
Vol 31 (8) ◽  
pp. 1510-1513 ◽  
Author(s):  
Malcolm H. Chisholm ◽  
Kirsten Folting ◽  
Elena F. Putilina
Keyword(s):  
Molecular Structure ◽  
Solid State

Neuartige Synthese und Molekülstruktur von Benzylkalium (thf) [KCH2C6H5]2 / Novel Synthesis and Molecular Structure of Benzyl Potassium (thf)[KCH2C6H5]2

1998 ◽  
Vol 53 (5-6) ◽  
pp. 625-627 ◽  
Author(s):  
Matthias Westerhausen ◽  
Wolfgang Schwarz
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Solvent Mixture ◽  
State Structure ◽  
Solid State Structure ◽  
Novel Synthesis

Abstract The reaction of potassium with hexamethyldi-stannane in a refluxing solvent mixture of toluene and tetrahydrofuran (ratio 10:1) yields the red tetrahydrofuran adduct of benzyl potassium (thf)[KCH2C6H5]2 due to the metalation of toluene by the potassium trimethylstannanide intermediate. The solid state structure of (thf)[KCH2C6H5]2 contains dimers with only one potassium coordinated to a tetrahydrofuran molecule. These dimers form a polymer through benzyl bridging with shortest K-C distances at 292 pm.

Solid-state NMR studies of the molecular structure of Taxol

2006 ◽  
Vol 44 (6) ◽  
pp. 581-585 ◽  
Author(s):  
Yu Ho ◽  
Der-Lii M. Tzou ◽  
Feng-I Chu
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Nmr Studies

Cationic tri(ferrocenecarbonitrile)silver(I)

2018 ◽  
Vol 73 (11) ◽  
pp. 759-764
Author(s):  
Frank Strehler ◽  
Tobias Rüffer ◽  
Julian Noll ◽  
Dieter Schaarschmidt ◽  
Alexander Hildebrandt ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Electrochemical Behavior ◽  
Potential Range

AbstractThe synthesis of the tri-coordinated ferrocenecarbonitrile silver(I) complex [Ag(N≡CFc)3]OTf (3) is reported. Its electrochemical behavior shows that the three ferrocenyl units are oxidized in a very close potential range. In addition, the molecular structure of 3 in the solid state is discussed, showing that silver(I) is exclusively coordinated by three ferrocenecarbonitrile molecules.

scholarly journals Solid state proton spin relaxation in ethylbenzenes: Methyl reorientation barriers and molecular structure

1991 ◽  
Vol 95 (2) ◽  
pp. 828-835 ◽  
Author(s):  
Peter A. Beckmann ◽  
Laura Happersett ◽  
Antonia V. Herzog ◽  
William M. Tong
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Spin Relaxation ◽  
Proton Spin

Unlocking the Molecular Structure of Fungal Melanin Using13C Biosynthetic Labeling and Solid-State NMR†

Biochemistry ◽  
2003 ◽  
Vol 42 (27) ◽  
pp. 8105-8109 ◽  
Author(s):  
Shiying Tian ◽  
Javier Garcia-Rivera ◽  
Bin Yan ◽  
Arturo Casadevall ◽  
Ruth E. Stark
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Fungal Melanin

Change in molecular structure and dynamics of protein in milk protein concentrate powder upon ageing by solid-state carbon NMR

2015 ◽  
Vol 44 ◽  
pp. 66-70 ◽  
Author(s):  
Enamul Haque ◽  
Bhesh R. Bhandari ◽  
Michael J. Gidley ◽  
Hilton C. Deeth ◽  
Andrew K. Whittaker
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Milk Protein ◽  
Protein Concentrate ◽  
Milk Protein Concentrate ◽  
Structure And Dynamics

scholarly journals Utilizing the Combined Power of Theory and Experiment to Understand Molecular Structure – Solid-State and Gas-Phase Investigation of Morpholine Borane

2020 ◽  
Vol 73 (8) ◽  
pp. 794
Author(s):  
Aliyu M. Ja'o ◽  
Derek A. Wann ◽  
Conor D. Rankine ◽  
Matthew I. J. Polson ◽  
Sarah L. Masters
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Gas Phase ◽  
Hydrogen Generation ◽  
Energy Requirement ◽  
Hydrogen Release ◽  
X Ray Diffraction ◽  
Structural Variations ◽  
Dehydrogenation Reaction ◽  
Quantum Chemical Methods

The molecular structure of morpholine borane complex has been studied in the solid state and gas phase using single-crystal X-ray diffraction, gas electron diffraction, and computational methods. Despite both the solid-state and gas-phase structures adopting the same conformation, a definite decrease in the B–N bond length of the solid-state structure was observed. Other structural variations in the different phases are presented and discussed. To explore the hydrogen storage potential of morpholine borane, the potential energy surface for the uncatalyzed and BH3-catalyzed pathways, as well as the thermochemistry for the hydrogen release reaction, were investigated using accurate quantum chemical methods. It was observed that both the catalyzed and uncatalyzed dehydrogenation pathways are favourable, with a barrier lower than the B–N bond dissociation energy, thus indicating a strong propensity for the complex to release a hydrogen molecule rather than dissociate along the B–N bond axis. A minimal energy requirement for the dehydrogenation reaction has been shown. The reaction is close to thermoneutral as demonstrated by the calculated dehydrogenation reaction energies, thus implying that this complex could demonstrate potential for future on-board hydrogen generation.

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