Matches in SemOpenAlex for { <https://semopenalex.org/work/W2021185280> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2021185280 endingPage "144" @default.
- W2021185280 startingPage "133" @default.
- W2021185280 abstract "The FT-Raman and FT-infrared spectra of bis(1-methylthyminato)mercury(II), Hg(1-MeT)2, and potassium 1-methylthyminate, K(1-MeT), are reported. The molecular structure, harmonic vibrational frequencies, infrared intensities and Raman scattering activities of the N3-deprotonated 1-MeT anion have been calculated at the HF/6-31++G∗∗ and MP2/D95V∗∗ levels of theory. A rigorous normal coordinate analysis of the 1-MeT anion has been made. The ab initio predicted frequencies and intensity patterns of the IR and Raman bands as well as the calculated potential energy distribution (PED) have proved to be of great help in assigning the spectra of the title compounds. It is concluded that the potassium cation binds to the oxygen atom of the N3-deprotonated ligand in K(1-MeT). It also follows that the exocyclic CO bonds in the N3-coordinated mercury(II) complex, Hg(1-MeT)2, are more ionic than those in the neutral 1-methylthymine." @default.
- W2021185280 created "2016-06-24" @default.
- W2021185280 creator A5058539851 @default.
- W2021185280 creator A5090160131 @default.
- W2021185280 date "2001-12-01" @default.
- W2021185280 modified "2023-09-27" @default.
- W2021185280 title "Vibrational spectra of 1-methylthyminate complexes with mercury(II) and potassium and ab initio calculations of the 1-MeT anion" @default.
- W2021185280 cites W1613668429 @default.
- W2021185280 cites W1967314296 @default.
- W2021185280 cites W1971335709 @default.
- W2021185280 cites W1972360473 @default.
- W2021185280 cites W1983627686 @default.
- W2021185280 cites W2005832440 @default.
- W2021185280 cites W2008143873 @default.
- W2021185280 cites W2009282765 @default.
- W2021185280 cites W2016745502 @default.
- W2021185280 cites W2021892252 @default.
- W2021185280 cites W2027421013 @default.
- W2021185280 cites W2031409529 @default.
- W2021185280 cites W2031537824 @default.
- W2021185280 cites W2031706480 @default.
- W2021185280 cites W2037560075 @default.
- W2021185280 cites W2046488708 @default.
- W2021185280 cites W2049996223 @default.
- W2021185280 cites W2063250525 @default.
- W2021185280 cites W2082534823 @default.
- W2021185280 cites W2085325671 @default.
- W2021185280 cites W3004777673 @default.
- W2021185280 cites W3138530864 @default.
- W2021185280 cites W4252421333 @default.
- W2021185280 doi "https://doi.org/10.1016/s0022-2860(01)00588-9" @default.
- W2021185280 hasPublicationYear "2001" @default.
- W2021185280 type Work @default.
- W2021185280 sameAs 2021185280 @default.
- W2021185280 citedByCount "14" @default.
- W2021185280 countsByYear W20211852802012 @default.
- W2021185280 countsByYear W20211852802013 @default.
- W2021185280 countsByYear W20211852802015 @default.
- W2021185280 countsByYear W20211852802016 @default.
- W2021185280 crossrefType "journal-article" @default.
- W2021185280 hasAuthorship W2021185280A5058539851 @default.
- W2021185280 hasAuthorship W2021185280A5090160131 @default.
- W2021185280 hasConcept C118629725 @default.
- W2021185280 hasConcept C120665830 @default.
- W2021185280 hasConcept C121332964 @default.
- W2021185280 hasConcept C145148216 @default.
- W2021185280 hasConcept C147789679 @default.
- W2021185280 hasConcept C153642686 @default.
- W2021185280 hasConcept C158355884 @default.
- W2021185280 hasConcept C178790620 @default.
- W2021185280 hasConcept C183971685 @default.
- W2021185280 hasConcept C185592680 @default.
- W2021185280 hasConcept C2182769 @default.
- W2021185280 hasConcept C2781442258 @default.
- W2021185280 hasConcept C32909587 @default.
- W2021185280 hasConcept C40003534 @default.
- W2021185280 hasConcept C517785266 @default.
- W2021185280 hasConcept C8010536 @default.
- W2021185280 hasConceptScore W2021185280C118629725 @default.
- W2021185280 hasConceptScore W2021185280C120665830 @default.
- W2021185280 hasConceptScore W2021185280C121332964 @default.
- W2021185280 hasConceptScore W2021185280C145148216 @default.
- W2021185280 hasConceptScore W2021185280C147789679 @default.
- W2021185280 hasConceptScore W2021185280C153642686 @default.
- W2021185280 hasConceptScore W2021185280C158355884 @default.
- W2021185280 hasConceptScore W2021185280C178790620 @default.
- W2021185280 hasConceptScore W2021185280C183971685 @default.
- W2021185280 hasConceptScore W2021185280C185592680 @default.
- W2021185280 hasConceptScore W2021185280C2182769 @default.
- W2021185280 hasConceptScore W2021185280C2781442258 @default.
- W2021185280 hasConceptScore W2021185280C32909587 @default.
- W2021185280 hasConceptScore W2021185280C40003534 @default.
- W2021185280 hasConceptScore W2021185280C517785266 @default.
- W2021185280 hasConceptScore W2021185280C8010536 @default.
- W2021185280 hasIssue "2-3" @default.
- W2021185280 hasLocation W20211852801 @default.
- W2021185280 hasOpenAccess W2021185280 @default.
- W2021185280 hasPrimaryLocation W20211852801 @default.
- W2021185280 hasRelatedWork W1941041028 @default.
- W2021185280 hasRelatedWork W1975476506 @default.
- W2021185280 hasRelatedWork W1977222826 @default.
- W2021185280 hasRelatedWork W1993950703 @default.
- W2021185280 hasRelatedWork W2000671939 @default.
- W2021185280 hasRelatedWork W2016491050 @default.
- W2021185280 hasRelatedWork W2065406881 @default.
- W2021185280 hasRelatedWork W2084766597 @default.
- W2021185280 hasRelatedWork W2127564015 @default.
- W2021185280 hasRelatedWork W4233121887 @default.
- W2021185280 hasVolume "598" @default.
- W2021185280 isParatext "false" @default.
- W2021185280 isRetracted "false" @default.
- W2021185280 magId "2021185280" @default.
- W2021185280 workType "article" @default.