The internal rotation in 1,1,1-trifluorinealkanes
14 potential functions V(φ) of the internal rotations around the C — C bonds in molecules of 1,1,1-trifluorine alkanes CF3 — (CH2)n — CH3, where 1 ≤ n ≤ 4, were obtained and approximated by Fourier series. The local minima of V(φ) and transition states (TS) have been studied for all examined compoun...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | Russian |
| Published: |
Tver State University
2017-12-01
|
| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-258.pdf |
| id |
doaj-836dc70931a9447485758d04871cbb49 |
|---|---|
| record_format |
Article |
| spelling |
doaj-836dc70931a9447485758d04871cbb492020-11-25T01:49:37ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602017-12-01925826310.26456/pcascnn/2017.9.258The internal rotation in 1,1,1-trifluorinealkanesA.V. Kotomkin0N.P. Rusakova1V.V. Turovtsev2Yu.D. Orlov3Tver State UniversityTver State UniversityTver State University, Tver State Medical UniversityTver State University14 potential functions V(φ) of the internal rotations around the C — C bonds in molecules of 1,1,1-trifluorine alkanes CF3 — (CH2)n — CH3, where 1 ≤ n ≤ 4, were obtained and approximated by Fourier series. The local minima of V(φ) and transition states (TS) have been studied for all examined compounds. A comparison of the rotation characteristics of studied molecules those of same in n-alkanes and 1-monofluorine alkanes was performed. The transferability of rotation parameters around C — C bonds has been showed.http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-258.pdf11-trifluorine alkanespotential functionconformational analysisinternal rotation |
| collection |
DOAJ |
| language |
Russian |
| format |
Article |
| sources |
DOAJ |
| author |
A.V. Kotomkin N.P. Rusakova V.V. Turovtsev Yu.D. Orlov |
| spellingShingle |
A.V. Kotomkin N.P. Rusakova V.V. Turovtsev Yu.D. Orlov The internal rotation in 1,1,1-trifluorinealkanes Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов 1 1-trifluorine alkanes potential function conformational analysis internal rotation |
| author_facet |
A.V. Kotomkin N.P. Rusakova V.V. Turovtsev Yu.D. Orlov |
| author_sort |
A.V. Kotomkin |
| title |
The internal rotation in 1,1,1-trifluorinealkanes |
| title_short |
The internal rotation in 1,1,1-trifluorinealkanes |
| title_full |
The internal rotation in 1,1,1-trifluorinealkanes |
| title_fullStr |
The internal rotation in 1,1,1-trifluorinealkanes |
| title_full_unstemmed |
The internal rotation in 1,1,1-trifluorinealkanes |
| title_sort |
internal rotation in 1,1,1-trifluorinealkanes |
| publisher |
Tver State University |
| series |
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| issn |
2226-4442 2658-4360 |
| publishDate |
2017-12-01 |
| description |
14 potential functions V(φ) of the internal rotations around the C — C bonds in molecules of 1,1,1-trifluorine alkanes CF3 — (CH2)n — CH3, where 1 ≤ n ≤ 4, were obtained and approximated by Fourier series. The local minima of V(φ) and transition states (TS) have been studied for all examined compounds. A comparison of the rotation characteristics of studied molecules those of same in n-alkanes and 1-monofluorine alkanes was performed. The transferability of rotation parameters around C — C bonds has been showed. |
| topic |
1 1-trifluorine alkanes potential function conformational analysis internal rotation |
| url |
http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-258.pdf |
| work_keys_str_mv |
AT avkotomkin theinternalrotationin111trifluorinealkanes AT nprusakova theinternalrotationin111trifluorinealkanes AT vvturovtsev theinternalrotationin111trifluorinealkanes AT yudorlov theinternalrotationin111trifluorinealkanes AT avkotomkin internalrotationin111trifluorinealkanes AT nprusakova internalrotationin111trifluorinealkanes AT vvturovtsev internalrotationin111trifluorinealkanes AT yudorlov internalrotationin111trifluorinealkanes |
| _version_ |
1725006183605993472 |