Matches in SemOpenAlex for { <https://semopenalex.org/work/W2013108441> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2013108441 endingPage "9864" @default.
- W2013108441 startingPage "9859" @default.
- W2013108441 abstract "The rotational spectra of 15 conformational isomers of 1-octene have been measured in a molecular beam at a rotational temperature of less than 2 K using a pulsed-nozzle Fourier transform microwave spectrometer. The transition assignments are guided by rotational constant calculations based on moderate-level ab initio theory and on the relative energy minima on the MM3 molecular-mechanics force field. The number of conformers identified is slightly more than 10% of the 131 predicted from the MM3 molecular-mechanics force field of Allinger et al. Fourteen of the observed conformers are identified with 14 of the 15 lowest energy minima predicted from the MM3 molecular-mechanics force field. The observation of such a large number of conformers, with a MM3 calculated energy spread of 365 cm-1 for this subset of 14, is a consequence of the minimal conformational cooling in the molecular-beam expansion. Limiting this cooling are the relatively high barriers separating the conformers compared to the thermal energy, kT, of the preexpansion gas. In some cases, primarily for the higher energy conformers, the need to cross multiple internal-rotation barriers provides an additional bottleneck for conformer relaxation. The rotational spectra furnish values for the principal moments of inertia, which are sensitive to the conformational geometry and can be compared with predictions from future high-level ab initio calculations. Assuming no conformer relaxation in the expansion allows the use of the transition-intensity data to estimate the energy ordering of the conformers." @default.
- W2013108441 created "2016-06-24" @default.
- W2013108441 creator A5011353286 @default.
- W2013108441 creator A5029810438 @default.
- W2013108441 creator A5040548489 @default.
- W2013108441 date "2001-09-28" @default.
- W2013108441 modified "2023-10-14" @default.
- W2013108441 title "Investigation of Conformationally Rich Molecules: Rotational Spectra of Fifteen Conformational Isomers of 1-Octene" @default.
- W2013108441 cites W1983652192 @default.
- W2013108441 cites W1985762693 @default.
- W2013108441 cites W1998340949 @default.
- W2013108441 cites W1998795262 @default.
- W2013108441 cites W2006428731 @default.
- W2013108441 cites W2006460264 @default.
- W2013108441 cites W2018644928 @default.
- W2013108441 cites W2028275420 @default.
- W2013108441 cites W2028468871 @default.
- W2013108441 cites W2036437250 @default.
- W2013108441 cites W2042976023 @default.
- W2013108441 cites W2046827634 @default.
- W2013108441 cites W2049811386 @default.
- W2013108441 cites W2051707493 @default.
- W2013108441 cites W2057303805 @default.
- W2013108441 cites W2068153679 @default.
- W2013108441 cites W2070577609 @default.
- W2013108441 cites W2076575873 @default.
- W2013108441 cites W2143954925 @default.
- W2013108441 cites W2154549088 @default.
- W2013108441 doi "https://doi.org/10.1021/jp010693l" @default.
- W2013108441 hasPublicationYear "2001" @default.
- W2013108441 type Work @default.
- W2013108441 sameAs 2013108441 @default.
- W2013108441 citedByCount "34" @default.
- W2013108441 countsByYear W20131084412015 @default.
- W2013108441 countsByYear W20131084412017 @default.
- W2013108441 countsByYear W20131084412018 @default.
- W2013108441 countsByYear W20131084412019 @default.
- W2013108441 countsByYear W20131084412021 @default.
- W2013108441 countsByYear W20131084412022 @default.
- W2013108441 countsByYear W20131084412023 @default.
- W2013108441 crossrefType "journal-article" @default.
- W2013108441 hasAuthorship W2013108441A5011353286 @default.
- W2013108441 hasAuthorship W2013108441A5029810438 @default.
- W2013108441 hasAuthorship W2013108441A5040548489 @default.
- W2013108441 hasConcept C10803110 @default.
- W2013108441 hasConcept C121332964 @default.
- W2013108441 hasConcept C147597530 @default.
- W2013108441 hasConcept C15744967 @default.
- W2013108441 hasConcept C169146920 @default.
- W2013108441 hasConcept C178790620 @default.
- W2013108441 hasConcept C183971685 @default.
- W2013108441 hasConcept C184779094 @default.
- W2013108441 hasConcept C185592680 @default.
- W2013108441 hasConcept C18705241 @default.
- W2013108441 hasConcept C2776029896 @default.
- W2013108441 hasConcept C2781442258 @default.
- W2013108441 hasConcept C31100168 @default.
- W2013108441 hasConcept C32909587 @default.
- W2013108441 hasConcept C41999313 @default.
- W2013108441 hasConcept C62520636 @default.
- W2013108441 hasConcept C77805123 @default.
- W2013108441 hasConceptScore W2013108441C10803110 @default.
- W2013108441 hasConceptScore W2013108441C121332964 @default.
- W2013108441 hasConceptScore W2013108441C147597530 @default.
- W2013108441 hasConceptScore W2013108441C15744967 @default.
- W2013108441 hasConceptScore W2013108441C169146920 @default.
- W2013108441 hasConceptScore W2013108441C178790620 @default.
- W2013108441 hasConceptScore W2013108441C183971685 @default.
- W2013108441 hasConceptScore W2013108441C184779094 @default.
- W2013108441 hasConceptScore W2013108441C185592680 @default.
- W2013108441 hasConceptScore W2013108441C18705241 @default.
- W2013108441 hasConceptScore W2013108441C2776029896 @default.
- W2013108441 hasConceptScore W2013108441C2781442258 @default.
- W2013108441 hasConceptScore W2013108441C31100168 @default.
- W2013108441 hasConceptScore W2013108441C32909587 @default.
- W2013108441 hasConceptScore W2013108441C41999313 @default.
- W2013108441 hasConceptScore W2013108441C62520636 @default.
- W2013108441 hasConceptScore W2013108441C77805123 @default.
- W2013108441 hasIssue "43" @default.
- W2013108441 hasLocation W20131084411 @default.
- W2013108441 hasOpenAccess W2013108441 @default.
- W2013108441 hasPrimaryLocation W20131084411 @default.
- W2013108441 hasRelatedWork W1967729169 @default.
- W2013108441 hasRelatedWork W1995968169 @default.
- W2013108441 hasRelatedWork W2000910854 @default.
- W2013108441 hasRelatedWork W2003415644 @default.
- W2013108441 hasRelatedWork W2006493736 @default.
- W2013108441 hasRelatedWork W2016427059 @default.
- W2013108441 hasRelatedWork W2047633009 @default.
- W2013108441 hasRelatedWork W2061171782 @default.
- W2013108441 hasRelatedWork W2092652216 @default.
- W2013108441 hasRelatedWork W2171500806 @default.
- W2013108441 hasVolume "105" @default.
- W2013108441 isParatext "false" @default.
- W2013108441 isRetracted "false" @default.
- W2013108441 magId "2013108441" @default.
- W2013108441 workType "article" @default.