935-28-4Relevant articles and documents
Attenuation of London Dispersion in Dichloromethane Solutions
Pollice, Robert,Bot, Marek,Kobylianskii, Ilia J.,Shenderovich, Ilya,Chen, Peter
supporting information, p. 13126 - 13140 (2017/09/26)
London dispersion constitutes one of the fundamental interaction forces between atoms and between molecules. While modern computational methods have been developed to describe the strength of dispersive interactions in the gas phase properly, the importance of inter-and intramolecular dispersion in solution remains yet to be fully understood because experimental data are still sparse in that regard. We herein report a detailed experimental and computational study of the contribution of London dispersion to the bond dissociation of proton-bound dimers, both in the gas phase and in dichloromethane solution, showing that attenuation of inter-and intramolecular dispersive interaction by solvent is large (about 70% in dichloromethane), but not complete, and that current state-of-The-Art implicit solvent models employed in quantum-mechanical computational studies treat London dispersion poorly, at least for this model system.
Polymerization initiator, modified-conjugated diene polymer and tire prepared therefrom
-
, (2015/12/14)
The present disclosure relates to a polymerization initiator and a modified conjugated diene polymer prepared using the same, and more particularly to a polymerization initiator which is a compound represented by the following formula 1, and a modified conjugated diene polymer prepared using the same: wherein R1 to R5 are each independently hydrogen or a C1-10 alkyl group or its carbanion; n? represents the number of negative charges of the carbanion and is 1? to 5?; M is a metal; and n is equal to the number of carbanions in R1 to R5.
Synthetic route optimization of PF-00868554, an HCV polymerase inhibitor in clinical evaluation
Johnson, Sarah,Drowns, Matt,Tatlock, John,Linton, Angelica,Gonzalez, Javier,Hoffman, Robert,Jewell, Tanya,Patel, Leena,Blazel, Julie,Tang, Mingnam,Li, Hui
scheme or table, p. 796 - 800 (2010/06/13)
This paper describes the optimization efforts to establish an enabling synthesis to provide multigram quantity of PF-00868554, an HCV polymerase inhibitor currently in phase II clinical evaluations.
