Liquid state torsional dynamics of butane: The Kramers rate and the torsion angle correlation times

1980 ◽  
Vol 73 (7) ◽  
pp. 3423-3429 ◽  
Author(s):  
D. C. Knauss ◽  
G. T. Evans
Keyword(s):  
Torsion Angle ◽  
Liquid State ◽  
Correlation Times

Synthesis and crystallographic, spectroscopic and computational characterization of 3,3′,4,4′-substituted biphenyls: effects of OR substituents on the intra-ring torsion angle

2020 ◽  
Vol 76 (3) ◽  
pp. 366-377
Author(s):  
Nahir Vadra ◽  
Sebastian A. Suarez ◽  
Leonardo D. Slep ◽  
Veronica E. Manzano ◽  
Emilia B. Halac ◽  
...  
Keyword(s):  
Quantum Mechanics ◽  
Torsion Angle ◽  
Liquid State ◽  
Molecular Conformation ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
Molecular Conformations ◽  
X Ray ◽  
Selection Of

Presented here are the synthesis, characterization and study (using single crystal X-ray diffraction, Raman scattering, quantum mechanics calculations) of the structures of a series of biphenyls substituted in positions 3, 3′, 4 and 4′ with a variety of R (R = methyl, acetyl, hexyl) groups connected to the biphenyl core through oxygen atoms. The molecular conformation, particularly the torsion angle between aromatic rings has been extensively studied both in the solid as well as in the liquid state. The results show that the compounds appearing as rigorously planar in the solid present instead a twisted conformation in the melt. The solid versus melt issue strongly suggests that the reasons for planarity are to be found in the packing restraints. A `rule of thumb' is suggested for the design of biphenyls with different molecular conformations, based on the selection of the OR substituent.

METGLAS ALLOY 2826

Alloy Digest ◽  
1976 ◽  
Vol 25 (11) ◽  
Keyword(s):  
Magnetic Properties ◽  
Metallic Glass ◽  
Liquid State ◽  
Single Phase ◽  
Heat Treating ◽  
High Permeability ◽  
Metallic Material ◽  
Nickel Iron ◽  
Rapid Quench ◽  
Chemical Corporation

Abstract METGLAS Alloy 2826 (Fe40Ni40P14B6) is a ferromagnetic, high permeability, nickel-iron metallic glass which, when appropriately annealed, yields a material similar to the higher nickel containing permalloys in magnetic properties. Alloy 2826 is a single phase, opaque metallic material with a glass-like structure obtained by a very rapid quench from the liquid state. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties as well as creep. It also includes information on forming and heat treating. Filing Code: Ni-235. Producer or source: Allied Chemical Corporation.

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