C–H bond activation in light alkanes: a theoretical perspective
نویسندگان
چکیده
This review describes the recent progress in computational catalysis that has addressed C–H bond activation of light alkanes.
منابع مشابه
Nanostructured Catalysts in Activation of Light Alkanes
The activation of small alkane molecules originating from natural gas or renewable resources on metal oxide surfaces regains increasing scientific interest since direct utilization of saturated hydrocarbons will offer alternative pathways to higher value chemicals in a postpetroleum era. The focus of the project lies on oxidation catalysis of small alkane molecules including methane, ethane, pr...
متن کامل2 A 05 Infrared spectroscopic investigation of CH bond acidity in cationic alkanes
[Introduction] CH bonds are the most ubiquitous functional group in organic compounds. CH in a neutral molecule is generally regarded as aprotic because of its low acidity. Recently, we have demonstrated the CH bonds in the cationic ethers [1, 2] and amines [3] are highly acidic. In these cations, the acidities of CH bonds are enhanced through the hyperconjugation of the CH bond with the nonbon...
متن کاملActivation of a CH bond in polypyridine systems by acetyl hypofluorite made from F2.
Activation of the relatively inactive polypyridine backbone with strong electrophilic fluorine, originating from acetyl hypofluorite (AcOF) enables attack of the acetoxy moiety at the α position to the heteroatom. Derivatives of bipyridine, phenanthroline and terpyridine systems have been acetoxylated or oxygenated within a few minutes usually in very good yields.
متن کاملShining Light on an mGlu5 Photoswitchable NAM: A Theoretical Perspective
Metabotropic glutamate receptors (mGluRs) are important drug targets because of their involvement in several neurological diseases. Among mGluRs, mGlu5 is a particularly high-profile target because its positive or negative allosteric modulation can potentially treat schizophrenia or anxiety and chronic pain, respectively. Here, we computationally and experimentally probe the functional binding ...
متن کاملdentin bond strength of two one-bottle adhesives after delayed activation of light-cured resin composites
objective: adverse surface interactions between one-bottle adhesives and chemical-cured composites may occur with delayed light activation of light-cured composites. the purpose of this study was to assess the effects of delayed activation of light-cured composites on shear bond strength of two one-bottle adhesives with different acidity to bovine dentin. materials and methods: flat dentin surf...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemical Society Reviews
سال: 2021
ISSN: ['0306-0012', '1460-4744']
DOI: https://doi.org/10.1039/d0cs01262a