FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2032049076> ?p ?o ?g. }

• W2032049076 abstract "Rotational transitions for N-Et-1,2-azaborine were measured in the 5–13 GHz range using a Flygare–Balle type Fourier transform spectrometer system. Twelve distinct rotational transitions with over 130 resolved hyperfine components, which included a-dipole and b-dipole transitions, were measured and analyzed to obtain rotational constants and B11 and N14 nuclear quadrupole coupling constants in the principal rotational axis system. Rotational constants obtained are A=4477.987(4), B=1490.5083(7), and C=1230.6728(6) MHz. The quadrupole coupling constants for B11 are eQqaa=−1.82(1), (eQqbb−eQqcc)=−3.398(4) MHz, and for N14, eQqaa=1.25(1), (eQqbb−eQqcc)=0.662(4) MHz. Quantum electronic structure calculations predict a ground-state structure with the ethyl group perpendicular to the azaborine plane and rotational constants in very good agreement with the measured structure and rotational constants. The theoretical conformational analysis of the ethyl group rotation around the NC bond in relation to the heterocyclic ring yielded an asymmetric torsional potential energy surface with barrier heights of about 900 and 1350 cm−1 for the N-Et-1,2-azaborine. Results of the measurements and calculations indicate that the basic molecular structure of N-Et-1,2-azaborine is similar to ethylbenzene. Electrostatic potential calculations qualitatively show that π-electron density is somewhat delocalized around the 1,2-azaborine ring." @default.
• W2032049076 created "2016-06-24" @default.
• W2032049076 creator A5013043039 @default.
• W2032049076 creator A5042286865 @default.
• W2032049076 creator A5051922492 @default.
• W2032049076 creator A5076633958 @default.
• W2032049076 creator A5077434381 @default.
• W2032049076 date "2009-12-10" @default.
• W2032049076 modified "2023-10-08" @default.
• W2032049076 title "Microwave measurements and <i>ab initio</i> calculations of structural and electronic properties of N-Et-1,2-azaborine" @default.
• W2032049076 cites W1574356778 @default.
• W2032049076 cites W1964038229 @default.
• W2032049076 cites W1967517453 @default.
• W2032049076 cites W1971275758 @default.
• W2032049076 cites W1975708211 @default.
• W2032049076 cites W1978028948 @default.
• W2032049076 cites W1983652192 @default.
• W2032049076 cites W1984614201 @default.
• W2032049076 cites W1985827457 @default.
• W2032049076 cites W1989727052 @default.
• W2032049076 cites W2002160856 @default.
• W2032049076 cites W2013265407 @default.
• W2032049076 cites W2014909755 @default.
• W2032049076 cites W2019956322 @default.
• W2032049076 cites W2023271753 @default.
• W2032049076 cites W2026446866 @default.
• W2032049076 cites W2054611254 @default.
• W2032049076 cites W2054897769 @default.
• W2032049076 cites W2057815662 @default.
• W2032049076 cites W2058363175 @default.
• W2032049076 cites W2058877202 @default.
• W2032049076 cites W2066546105 @default.
• W2032049076 cites W2069723789 @default.
• W2032049076 cites W2072294305 @default.
• W2032049076 cites W2080803777 @default.
• W2032049076 cites W2086976025 @default.
• W2032049076 cites W2088603936 @default.
• W2032049076 cites W2088784429 @default.
• W2032049076 cites W2089933239 @default.
• W2032049076 cites W2096009608 @default.
• W2032049076 cites W2137408852 @default.
• W2032049076 cites W2144641934 @default.
• W2032049076 cites W2158705142 @default.
• W2032049076 cites W2163413179 @default.
• W2032049076 cites W2951723665 @default.
• W2032049076 doi "https://doi.org/10.1063/1.3270157" @default.
• W2032049076 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20001041" @default.
• W2032049076 hasPublicationYear "2009" @default.
• W2032049076 type Work @default.
• W2032049076 sameAs 2032049076 @default.
• W2032049076 citedByCount "24" @default.
• W2032049076 countsByYear W20320490762012 @default.
• W2032049076 countsByYear W20320490762013 @default.
• W2032049076 countsByYear W20320490762014 @default.
• W2032049076 countsByYear W20320490762015 @default.
• W2032049076 countsByYear W20320490762016 @default.
• W2032049076 countsByYear W20320490762017 @default.
• W2032049076 countsByYear W20320490762021 @default.
• W2032049076 countsByYear W20320490762022 @default.
• W2032049076 crossrefType "journal-article" @default.
• W2032049076 hasAuthorship W2032049076A5013043039 @default.
• W2032049076 hasAuthorship W2032049076A5042286865 @default.
• W2032049076 hasAuthorship W2032049076A5051922492 @default.
• W2032049076 hasAuthorship W2032049076A5076633958 @default.
• W2032049076 hasAuthorship W2032049076A5077434381 @default.
• W2032049076 hasConcept C109214941 @default.
• W2032049076 hasConcept C111167017 @default.
• W2032049076 hasConcept C121332964 @default.
• W2032049076 hasConcept C125277925 @default.
• W2032049076 hasConcept C131538251 @default.
• W2032049076 hasConcept C147597530 @default.
• W2032049076 hasConcept C155675718 @default.
• W2032049076 hasConcept C173523689 @default.
• W2032049076 hasConcept C178790620 @default.
• W2032049076 hasConcept C183276030 @default.
• W2032049076 hasConcept C184779094 @default.
• W2032049076 hasConcept C185592680 @default.
• W2032049076 hasConcept C2781442258 @default.
• W2032049076 hasConcept C31100168 @default.
• W2032049076 hasConcept C32909587 @default.
• W2032049076 hasConcept C39984356 @default.
• W2032049076 hasConcept C41999313 @default.
• W2032049076 hasConcept C62520636 @default.
• W2032049076 hasConcept C70050531 @default.
• W2032049076 hasConceptScore W2032049076C109214941 @default.
• W2032049076 hasConceptScore W2032049076C111167017 @default.
• W2032049076 hasConceptScore W2032049076C121332964 @default.
• W2032049076 hasConceptScore W2032049076C125277925 @default.
• W2032049076 hasConceptScore W2032049076C131538251 @default.
• W2032049076 hasConceptScore W2032049076C147597530 @default.
• W2032049076 hasConceptScore W2032049076C155675718 @default.
• W2032049076 hasConceptScore W2032049076C173523689 @default.
• W2032049076 hasConceptScore W2032049076C178790620 @default.
• W2032049076 hasConceptScore W2032049076C183276030 @default.
• W2032049076 hasConceptScore W2032049076C184779094 @default.
• W2032049076 hasConceptScore W2032049076C185592680 @default.
• W2032049076 hasConceptScore W2032049076C2781442258 @default.
• W2032049076 hasConceptScore W2032049076C31100168 @default.
• W2032049076 hasConceptScore W2032049076C32909587 @default.
• W2032049076 hasConceptScore W2032049076C39984356 @default.

• next