Matches in SemOpenAlex for { <https://semopenalex.org/work/W2108280344> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2108280344 endingPage "1346" @default.
- W2108280344 startingPage "1335" @default.
- W2108280344 abstract "Infrared spectra of 3,3,3-trifluoropropyltrichlorosilane (CF3CH2CH2SiCl3) were obtained in the vapour, amorphous and crystalline solid phases in the range 4000–50 cm−1. Additional spectra in argon matrices at 5.0 K were recorded before and after annealing to 20–36 K. Raman spectra of the compound as a liquid were recorded at various temperatures between 298 and 210 K and spectra of the amorphous and crystalline solids were obtained. The spectra suggested the existence of two conformers (anti and gauche) in the fluid phases and in the matrix. When the vapour was shock-frozen on a cold finger at 80 K and subsequently annealed to 120–150 K, six weak or very weak Raman bands vanished in the crystal. Similar variations were observed in the corresponding infrared spectra after annealing and four very weak IR bands disappeared after crystallization. From intensity variations between 298 and 210 K of three Raman band pairs an average value Δconf H° (gauche–anti) = 6.1 ± 0.5 kJ mol−1 was obtained in the liquid. Annealing experiments indicate that the anti conformer also has a lower energy in the argon matrices. The conformational equilibrium is highly shifted towards anti in the liquid, and the low energy conformer also forms the crystal. The spectra of the abundant anti conformer and the few bands ascribed to the gauche conformer have been interpreted. Ab initio calculations at the HF/6-311G** and B3LYP/6-311G** gave optimized geometries, infrared and Raman intensities and vibrational frequencies for the anti and gauche conformers. The conformational energy differences derived were 11.8 and 9.2 kJ mol−1 from the HF and the B3LYP calculations, respectively." @default.
- W2108280344 created "2016-06-24" @default.
- W2108280344 creator A5004558831 @default.
- W2108280344 creator A5036553863 @default.
- W2108280344 creator A5057321997 @default.
- W2108280344 creator A5083229437 @default.
- W2108280344 date "2005-05-01" @default.
- W2108280344 modified "2023-09-27" @default.
- W2108280344 title "Vibrational spectroscopic studies, conformations and ab initio calculations of 3,3,3-trifluoropropyltrichlorosilane" @default.
- W2108280344 cites W1964792967 @default.
- W2108280344 cites W1968226912 @default.
- W2108280344 cites W1984568239 @default.
- W2108280344 cites W2020246839 @default.
- W2108280344 cites W2028663148 @default.
- W2108280344 cites W2029792356 @default.
- W2108280344 cites W2031319459 @default.
- W2108280344 cites W2035407457 @default.
- W2108280344 cites W2047129928 @default.
- W2108280344 cites W2082252021 @default.
- W2108280344 cites W2142271306 @default.
- W2108280344 cites W2150638773 @default.
- W2108280344 cites W1514024246 @default.
- W2108280344 doi "https://doi.org/10.1016/j.saa.2004.09.018" @default.
- W2108280344 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15820867" @default.
- W2108280344 hasPublicationYear "2005" @default.
- W2108280344 type Work @default.
- W2108280344 sameAs 2108280344 @default.
- W2108280344 citedByCount "6" @default.
- W2108280344 countsByYear W21082803442013 @default.
- W2108280344 countsByYear W21082803442018 @default.
- W2108280344 crossrefType "journal-article" @default.
- W2108280344 hasAuthorship W2108280344A5004558831 @default.
- W2108280344 hasAuthorship W2108280344A5036553863 @default.
- W2108280344 hasAuthorship W2108280344A5057321997 @default.
- W2108280344 hasAuthorship W2108280344A5083229437 @default.
- W2108280344 hasConcept C113196181 @default.
- W2108280344 hasConcept C120665830 @default.
- W2108280344 hasConcept C121332964 @default.
- W2108280344 hasConcept C1276947 @default.
- W2108280344 hasConcept C153642686 @default.
- W2108280344 hasConcept C158355884 @default.
- W2108280344 hasConcept C178790620 @default.
- W2108280344 hasConcept C183971685 @default.
- W2108280344 hasConcept C185592680 @default.
- W2108280344 hasConcept C18705241 @default.
- W2108280344 hasConcept C192562407 @default.
- W2108280344 hasConcept C203036418 @default.
- W2108280344 hasConcept C2781442258 @default.
- W2108280344 hasConcept C32909587 @default.
- W2108280344 hasConcept C40003534 @default.
- W2108280344 hasConcept C4839761 @default.
- W2108280344 hasConcept C547737533 @default.
- W2108280344 hasConcept C56052488 @default.
- W2108280344 hasConcept C8010536 @default.
- W2108280344 hasConceptScore W2108280344C113196181 @default.
- W2108280344 hasConceptScore W2108280344C120665830 @default.
- W2108280344 hasConceptScore W2108280344C121332964 @default.
- W2108280344 hasConceptScore W2108280344C1276947 @default.
- W2108280344 hasConceptScore W2108280344C153642686 @default.
- W2108280344 hasConceptScore W2108280344C158355884 @default.
- W2108280344 hasConceptScore W2108280344C178790620 @default.
- W2108280344 hasConceptScore W2108280344C183971685 @default.
- W2108280344 hasConceptScore W2108280344C185592680 @default.
- W2108280344 hasConceptScore W2108280344C18705241 @default.
- W2108280344 hasConceptScore W2108280344C192562407 @default.
- W2108280344 hasConceptScore W2108280344C203036418 @default.
- W2108280344 hasConceptScore W2108280344C2781442258 @default.
- W2108280344 hasConceptScore W2108280344C32909587 @default.
- W2108280344 hasConceptScore W2108280344C40003534 @default.
- W2108280344 hasConceptScore W2108280344C4839761 @default.
- W2108280344 hasConceptScore W2108280344C547737533 @default.
- W2108280344 hasConceptScore W2108280344C56052488 @default.
- W2108280344 hasConceptScore W2108280344C8010536 @default.
- W2108280344 hasIssue "7" @default.
- W2108280344 hasLocation W21082803441 @default.
- W2108280344 hasLocation W21082803442 @default.
- W2108280344 hasOpenAccess W2108280344 @default.
- W2108280344 hasPrimaryLocation W21082803441 @default.
- W2108280344 hasRelatedWork W1941041028 @default.
- W2108280344 hasRelatedWork W2011163621 @default.
- W2108280344 hasRelatedWork W2011184111 @default.
- W2108280344 hasRelatedWork W2019286637 @default.
- W2108280344 hasRelatedWork W2069820409 @default.
- W2108280344 hasRelatedWork W2080884910 @default.
- W2108280344 hasRelatedWork W2082026081 @default.
- W2108280344 hasRelatedWork W2127564015 @default.
- W2108280344 hasRelatedWork W2157176101 @default.
- W2108280344 hasRelatedWork W2416203059 @default.
- W2108280344 hasVolume "61" @default.
- W2108280344 isParatext "false" @default.
- W2108280344 isRetracted "false" @default.
- W2108280344 magId "2108280344" @default.
- W2108280344 workType "article" @default.