463-82-1Relevant articles and documents
Molecular insight into surface organometallic chemistry through the combined use of 2D HETCOR solid-state NMR spectroscopy and silsesquioxane analogues
Chabanas,Quadrelli,Fenet,Coperet,Thivolle-Cazat,Basset,Lesage,Emsley
, p. 4493 - 4496 (2001)
Feher cage analogues, such as 1, provide easy access to models of surface structures such as 2, and give a better understanding of surface reactions. In addition, surface complexes such as 2 can be fully characterized by high-resolution 1D and 2D solid-state NMR spectroscopy.
Bruno,J.W.,Marks,T.J.,Day,V.W.
, p. 7357 (1982)
Gated molecular recognition and dynamic discrimination of guests
Rieth, Stephen,Bao, Xiaoguang,Wang, Bao-Yu,Hadad, Christopher M.,Badjic, Jovica D.
, p. 773 - 776 (2010)
Some highly efficient enzymes, e.g., acetylcholinesterase, use gating as a tool for controlling the rate by which substrates access their active site to direct product formation. Mastering gated molecular encapsulation could therefore be important for manipulating reactivity in artificial environments, albeit quantitative relationships that describe these processes are unknown. In this work, we examined the interdependence between the thermodynamics (ΔG° ) and the kinetics (ΔGin? and ΔGout?) of encapsulation as mediated by gated molecular basket 1. For a series of isosteric guests (2-6, 106-107 A3) entering/ exiting 1, we found a linear correlation between the host-guest affinities (ΔG° ) and the free energies of the activation (ΔG in? and ΔGout?), which was fit to the following equation: ΔG? = ρΔG° + δ. Markedly, the kinetics for the entrapment of smaller guest 7 (93 A3) and bigger guest 8 (121 A3) did not follow the free energy trends observed for 2-6. Thus, it appears that the kinetics of the gated encapsulation mediated by 1 is a function of the encapsulation's favorability (ΔG° ) and the guest's profile. When the size/shape of guests is kept constant, a linear dependence between the encapsulation potential (ΔG° ) and the rate of guests' entering/departing basket (ΔGin/out?) holds. However, when the potential (ΔG° ) is fixed, the basket discriminates guests on the basis of their size/shape via dynamic modulation of the binding site's access.
Fryzuk, Michael D.,MacNeil, Patricia A.,Rettig, Steven J.
, p. 6708 - 6710 (1985)
PRODUCTION OF NEOPENTANE
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Paragraph 0048-0054, (2018/03/25)
Disclosed herein are processes for producing neopentane. The processes generally relate to demethylating neohexane and/or neoheptane to produce neopentane. The neohexane and/or neoheptane may be provided by the isomerization of C6-C7 paraffins.