FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2003233995> ?p ?o ?g. }

• W2003233995 abstract "The infrared spectra (3500-220 cm(-1)) of cyclobutylgermane, c-C(4)H(7)GeH(3) have been recorded of the gas. Also variable temperature (-65 to -100 °C) studies of the infrared spectra (3500-400 cm(-1)) of the sample dissolved in liquid xenon were recorded and both the equatorial and axial conformers were identified. The enthalpy difference has been determined from 10 band pairs 8 temperatures to give 112 ± 11 cm(-1) (1.34 ± 0.13 kJ mol(-1)) with the equatorial conformer the more stable form. The percentage of the axial conformer present at ambient temperature is estimated to be 37 ± 1%. From ab initio calculations conformational stabilities have been predicted from both MP2(full) and density functional theory calculations from a variety of basic sets. The r(0) structure parameters have been obtained for both conformers from the previously reported rotational constants from the three isotopologues. The determined heavy atom distances for the equatorial [axial] form are (Å) Ge-C(α)=1.952(3) [1.950(3)], [Formula: see text] , [Formula: see text] [1.551(3)] and angles in degrees (°) ∠GeC(α)C(β)=118.6(5) [113.4(5)], [Formula: see text] , ∠C(α)C(β)C(γ)=87.8(5) [88.8(5)], [Formula: see text] and a puckering angle of 29.1(5) [25.1(5)]. Data from ab initio calculations were used to predict vibrational harmonic force constants, fundamental wavenumbers, infrared intensities, Raman activities and depolarization ratios for both conformers. The results are compared to the corresponding properties of some related molecules." @default.
• W2003233995 created "2016-06-24" @default.
• W2003233995 creator A5004558831 @default.
• W2003233995 creator A5034708732 @default.
• W2003233995 creator A5044868665 @default.
• W2003233995 creator A5060668885 @default.
• W2003233995 creator A5078792671 @default.
• W2003233995 creator A5078964217 @default.
• W2003233995 creator A5091571867 @default.
• W2003233995 creator A5091740865 @default.
• W2003233995 date "2012-12-01" @default.
• W2003233995 modified "2023-09-25" @default.
• W2003233995 title "Structure and conformation studies from temperature dependent infrared spectra of xenon solutions and ab initio calculations of cyclobutylgermane" @default.
• W2003233995 cites W1566360253 @default.
• W2003233995 cites W1965888246 @default.
• W2003233995 cites W1973625811 @default.
• W2003233995 cites W1975242621 @default.
• W2003233995 cites W1978694446 @default.
• W2003233995 cites W1982091339 @default.
• W2003233995 cites W1984589453 @default.
• W2003233995 cites W1999479455 @default.
• W2003233995 cites W2008456325 @default.
• W2003233995 cites W2008569074 @default.
• W2003233995 cites W2009499482 @default.
• W2003233995 cites W2010791419 @default.
• W2003233995 cites W2018818818 @default.
• W2003233995 cites W2023311725 @default.
• W2003233995 cites W2028677849 @default.
• W2003233995 cites W2033186772 @default.
• W2003233995 cites W2034119448 @default.
• W2003233995 cites W2044940178 @default.
• W2003233995 cites W2049019020 @default.
• W2003233995 cites W2050104102 @default.
• W2003233995 cites W2057030009 @default.
• W2003233995 cites W2060508839 @default.
• W2003233995 cites W2063153671 @default.
• W2003233995 cites W2065865011 @default.
• W2003233995 cites W2074890195 @default.
• W2003233995 cites W2079376586 @default.
• W2003233995 cites W2081607476 @default.
• W2003233995 cites W2082727721 @default.
• W2003233995 cites W2092329732 @default.
• W2003233995 cites W2115878464 @default.
• W2003233995 doi "https://doi.org/10.1016/j.saa.2012.09.038" @default.
• W2003233995 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23085284" @default.
• W2003233995 hasPublicationYear "2012" @default.
• W2003233995 type Work @default.
• W2003233995 sameAs 2003233995 @default.
• W2003233995 citedByCount "3" @default.
• W2003233995 countsByYear W20032339952015 @default.
• W2003233995 countsByYear W20032339952016 @default.
• W2003233995 countsByYear W20032339952019 @default.
• W2003233995 crossrefType "journal-article" @default.
• W2003233995 hasAuthorship W2003233995A5004558831 @default.
• W2003233995 hasAuthorship W2003233995A5034708732 @default.
• W2003233995 hasAuthorship W2003233995A5044868665 @default.
• W2003233995 hasAuthorship W2003233995A5060668885 @default.
• W2003233995 hasAuthorship W2003233995A5078792671 @default.
• W2003233995 hasAuthorship W2003233995A5078964217 @default.
• W2003233995 hasAuthorship W2003233995A5091571867 @default.
• W2003233995 hasAuthorship W2003233995A5091740865 @default.
• W2003233995 hasConcept C113196181 @default.
• W2003233995 hasConcept C120665830 @default.
• W2003233995 hasConcept C121332964 @default.
• W2003233995 hasConcept C1276947 @default.
• W2003233995 hasConcept C13934619 @default.
• W2003233995 hasConcept C147597530 @default.
• W2003233995 hasConcept C152365726 @default.
• W2003233995 hasConcept C153642686 @default.
• W2003233995 hasConcept C158355884 @default.
• W2003233995 hasConcept C178790620 @default.
• W2003233995 hasConcept C183971685 @default.
• W2003233995 hasConcept C185592680 @default.
• W2003233995 hasConcept C18705241 @default.
• W2003233995 hasConcept C2781442258 @default.
• W2003233995 hasConcept C3288061 @default.
• W2003233995 hasConcept C32909587 @default.
• W2003233995 hasConcept C41999313 @default.
• W2003233995 hasConcept C4839761 @default.
• W2003233995 hasConcept C548442186 @default.
• W2003233995 hasConcept C97355855 @default.
• W2003233995 hasConceptScore W2003233995C113196181 @default.
• W2003233995 hasConceptScore W2003233995C120665830 @default.
• W2003233995 hasConceptScore W2003233995C121332964 @default.
• W2003233995 hasConceptScore W2003233995C1276947 @default.
• W2003233995 hasConceptScore W2003233995C13934619 @default.
• W2003233995 hasConceptScore W2003233995C147597530 @default.
• W2003233995 hasConceptScore W2003233995C152365726 @default.
• W2003233995 hasConceptScore W2003233995C153642686 @default.
• W2003233995 hasConceptScore W2003233995C158355884 @default.
• W2003233995 hasConceptScore W2003233995C178790620 @default.
• W2003233995 hasConceptScore W2003233995C183971685 @default.
• W2003233995 hasConceptScore W2003233995C185592680 @default.
• W2003233995 hasConceptScore W2003233995C18705241 @default.
• W2003233995 hasConceptScore W2003233995C2781442258 @default.
• W2003233995 hasConceptScore W2003233995C3288061 @default.
• W2003233995 hasConceptScore W2003233995C32909587 @default.
• W2003233995 hasConceptScore W2003233995C41999313 @default.
• W2003233995 hasConceptScore W2003233995C4839761 @default.
• W2003233995 hasConceptScore W2003233995C548442186 @default.

• next