کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9770451 | 1501948 | 2005 | 15 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Thermochemistry of organic and heteroorganic species. Part XIII. Interrelationship for νCH values in RH molecules and enthalpy of formation of R free radicals in aliphatic compounds
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Thermochemistry of organic and heteroorganic species. Part XIII. Interrelationship for νCH values in RH molecules and enthalpy of formation of R free radicals in aliphatic compounds Thermochemistry of organic and heteroorganic species. Part XIII. Interrelationship for νCH values in RH molecules and enthalpy of formation of R free radicals in aliphatic compounds](/preview/png/9770451.png)
چکیده انگلیسی
Using IR frequencies for gaseous molecules' R-H bonds, some known values of the enthalpies of formation for carbon-centered R free radicals, and the series of isodesmic reactions, the enthalpies of formation for more than 25 free radicals were found. The variable ÎνCH values equivalent for 1 kcal in ÎBDE (bond dissociation energy) R-HâRâ²-H was applied: 9 cmâ1 in alkanes, 11 cmâ1 in alkenes RCHCH-H (RCHCH2), 12 cmâ1 in alkynes RCC-H, and 14 cmâ1 in RCHO molecules. It was found that in halogenated methanes and some other molecules (CH3SH, CH3PH2, CH3NO2, CH3ONO2) the registered νCH value is much higher than it is expected from BDEs C-H. The expected νCH frequencies were calculated for about 25 molecules.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 734, Issues 1â3, 31 January 2005, Pages 219-233
Journal: Journal of Molecular Structure - Volume 734, Issues 1â3, 31 January 2005, Pages 219-233
نویسندگان
A.V. Golovin, V.V. Takhistov,