Thermochemical properties of methyl-substituted cyclic alkyl ethers and radicals for oxiranes, oxetanes, and oxolanes: C-H bond dissociation enthalpy trends with ring size and ether site

Journal of Physical Chemistry A

Volumn 117, Issue 2, 2013, Pages 378-392

  Auzmendi Murua, Itsaso ^a   Charaya, Sumit ^b   Bozzelli, Joseph W ^a,b  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

^b NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL ETHERS; B3LYP/6-31G; C-H BOND DISSOCIATION; CARBON-CENTERED RADICALS; CARBON-HYDROGEN BOND; CBS-QB3; CYCLIC ETHER; DENSITY-FUNCTIONAL STUDY; DIOLEFINS; ENTHALPIES OF FORMATION; ETHER GROUP; GAS-PHASE REACTIONS; HYDROCARBON RADICALS; MODERATE TEMPERATURE; ORGANIC SYNTHESIS; OXETANES; OXIDATION REACTIONS; OXIRANES; RING SIZES; ROTATIONAL CONTRIBUTIONS; THERMOCHEMICAL PROPERTIES; VIBRATION FREQUENCY; WORK REACTIONS;

ATMOSPHERIC CHEMISTRY; CARBON; CHEMICAL BONDS; ENTHALPY; ENTROPY; ETHERS; OLEFINS; PHASE INTERFACES; RIGID ROTORS; SPECIFIC HEAT;

ORGANIC COMPOUNDS;

EID: 84872593896     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp309775h     Document Type: Article

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