FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2144348002> ?p ?o ?g. }

• W2144348002 endingPage "3517" @default.
• W2144348002 startingPage "3509" @default.
• W2144348002 abstract "The electronic structure and chemical bonding of B7- and B7 have been investigated using photoelectron spectroscopy and ab initio calculations. Complicated, but well-resolved, photoelectron spectra were obtained for B7- at several photon energies and were shown distinctly to contain contributions from different B7- isomers. The structures of the global minima and low-lying isomers were identified using extensive ab initio calculations. Two almost degenerate pyramidal structures I (C6v, 3A1) and II (C2v, 1A1) were the most stable for B7-. The triplet structure-I is slightly more stable than the singlet structure at our highest level of theory [RCCSD(T)/6-311+G(2df)] by 0.7 kcal/mol only. The next lowest singlet structure V (C2v, 1A1) was perfectly planar and was 7.8 kcal/mol higher in energy at RCCSD(T)/6-311+G(2df) level. The observed photoelectron spectra can only be explained when contributions from all these three low-lying isomers were considered; the observed spectral features were in good agreement with the calculated detachment transitions from the three isomers. Analyses of the molecular orbitals and chemical bonding revealed evidence that the triplet pyramidal C6v structure-I has a twofold (π and σ) aromaticity, the singlet pyramidal C2v structure-II has σ-aromaticity and π-antiaromaticity, and the singlet planar C2v structure V has a twofold (π and σ) antiaromaticity." @default.
• W2144348002 created "2016-06-24" @default.
• W2144348002 creator A5000151397 @default.
• W2144348002 creator A5058523056 @default.
• W2144348002 creator A5062786033 @default.
• W2144348002 creator A5091170290 @default.
• W2144348002 date "2004-03-20" @default.
• W2144348002 modified "2023-10-01" @default.
• W2144348002 title "Electronic Structure, Isomerism, and Chemical Bonding in B₇^- and B₇" @default.
• W2144348002 cites W1496063696 @default.
• W2144348002 cites W1670529018 @default.
• W2144348002 cites W194243151 @default.
• W2144348002 cites W1964649529 @default.
• W2144348002 cites W1965973363 @default.
• W2144348002 cites W1972345962 @default.
• W2144348002 cites W1975708211 @default.
• W2144348002 cites W1976411957 @default.
• W2144348002 cites W1977092232 @default.
• W2144348002 cites W1988327686 @default.
• W2144348002 cites W1989638149 @default.
• W2144348002 cites W1995048030 @default.
• W2144348002 cites W2002133056 @default.
• W2144348002 cites W2005015094 @default.
• W2144348002 cites W2007335371 @default.
• W2144348002 cites W2010635802 @default.
• W2144348002 cites W2013131898 @default.
• W2144348002 cites W2013180138 @default.
• W2144348002 cites W2016896238 @default.
• W2144348002 cites W2018937156 @default.
• W2144348002 cites W2020348332 @default.
• W2144348002 cites W2031006372 @default.
• W2144348002 cites W2044776844 @default.
• W2144348002 cites W2046009046 @default.
• W2144348002 cites W2049165186 @default.
• W2144348002 cites W2049996223 @default.
• W2144348002 cites W2050146938 @default.
• W2144348002 cites W2050827839 @default.
• W2144348002 cites W2052858111 @default.
• W2144348002 cites W2053172718 @default.
• W2144348002 cites W2053683731 @default.
• W2144348002 cites W2054539730 @default.
• W2144348002 cites W2057688135 @default.
• W2144348002 cites W2058005820 @default.
• W2144348002 cites W2061209157 @default.
• W2144348002 cites W2063663126 @default.
• W2144348002 cites W2064033535 @default.
• W2144348002 cites W2065780127 @default.
• W2144348002 cites W2068228867 @default.
• W2144348002 cites W2069197437 @default.
• W2144348002 cites W2069300221 @default.
• W2144348002 cites W2077711256 @default.
• W2144348002 cites W2078917427 @default.
• W2144348002 cites W2081497997 @default.
• W2144348002 cites W2086867537 @default.
• W2144348002 cites W2089411020 @default.
• W2144348002 cites W2092930273 @default.
• W2144348002 cites W2106397419 @default.
• W2144348002 cites W2127154874 @default.
• W2144348002 cites W2132462117 @default.
• W2144348002 cites W2139851971 @default.
• W2144348002 cites W2143981217 @default.
• W2144348002 cites W2145716030 @default.
• W2144348002 cites W2164318957 @default.
• W2144348002 cites W2468931731 @default.
• W2144348002 cites W2950963887 @default.
• W2144348002 cites W2951565074 @default.
• W2144348002 cites W2953175963 @default.
• W2144348002 cites W3206606417 @default.
• W2144348002 cites W5169066 @default.
• W2144348002 doi "https://doi.org/10.1021/jp037341u" @default.
• W2144348002 hasPublicationYear "2004" @default.
• W2144348002 type Work @default.
• W2144348002 sameAs 2144348002 @default.
• W2144348002 citedByCount "195" @default.
• W2144348002 countsByYear W21443480022012 @default.
• W2144348002 countsByYear W21443480022013 @default.
• W2144348002 countsByYear W21443480022014 @default.
• W2144348002 countsByYear W21443480022015 @default.
• W2144348002 countsByYear W21443480022016 @default.
• W2144348002 countsByYear W21443480022017 @default.
• W2144348002 countsByYear W21443480022018 @default.
• W2144348002 countsByYear W21443480022019 @default.
• W2144348002 countsByYear W21443480022020 @default.
• W2144348002 countsByYear W21443480022021 @default.
• W2144348002 countsByYear W21443480022022 @default.
• W2144348002 countsByYear W21443480022023 @default.
• W2144348002 crossrefType "journal-article" @default.
• W2144348002 hasAuthorship W2144348002A5000151397 @default.
• W2144348002 hasAuthorship W2144348002A5058523056 @default.
• W2144348002 hasAuthorship W2144348002A5062786033 @default.
• W2144348002 hasAuthorship W2144348002A5091170290 @default.
• W2144348002 hasConcept C111429119 @default.
• W2144348002 hasConcept C121332964 @default.
• W2144348002 hasConcept C139358910 @default.
• W2144348002 hasConcept C147597530 @default.
• W2144348002 hasConcept C147789679 @default.
• W2144348002 hasConcept C175708663 @default.
• W2144348002 hasConcept C178790620 @default.

• next