Affiliation:
1. IBM Thomas J. Watson Research Center, Yorktown Heights, New York 10598
Publisher
American Chemical Society (ACS)
Subject
General Physics and Astronomy,General Engineering,General Materials Science
Reference15 articles.
1. Charge Control in a Model Biphenyl Molecular Transistor
2. It has been shown by Baudour(3)that in solid biphenyl, the equilibrium configuration has a twist angle of 13.3° between the two carbon rings, but that at room temperature, the average configuration is planar. For the gas phase, electron diffraction measurements(4)show a twist angle of 44.4°. The energy difference between a geometry-optimized calculation for the free molecule and a geometry-optimized calculation in which the rings are constrained to be co-planar is 0.09 eV [using Gaussian 98(6)] (cf. also ref5.
3. Structural phase transition in polyphenyls. X. Potential barrier heights in crystalline polyphenyls and in gaseous biphenyl determined uniquely from diffraction data
4. Structure and barrier of internal rotation of biphenyl derivatives in the gaseous state
5. Dependence of single-molecule junction conductance on molecular conformation
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5. Structures, Aromaticity and Raman Spectroscopy of Double Hanging Ring Molecules [(GnHn-1m)(GnHn-1 m)] (G = C, Si, Ge; n=3, 5, 6, 7, 8; m =+1,-1, 0,+1,+2);CHINESE J STRUC CHEM;2020