FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2045394912> ?p ?o ?g. }

• W2045394912 abstract "Research projects in physical-organic chemistry can go in unpredictable directions. One such project, described herein, began with the discovery of a large, imaginary, calculated vibrational frequency and soon led to the prediction that cyclobutanetetraone (CO)4 had a triplet ground state. Molecular orbital (MO) theory provided the understanding of why (CO)4 was calculated to have a planar triplet ground state and why, in contrast, (SiO)4 was calculated to have a tetrahedral singlet ground state. Qualitative MO theory, as well as calculations, also predicted that (CO)3, (CO)5, and (CO)6 should all be found to have singlet ground states. Testing experimentally these predictions about (CO)n molecules, n=3–6, led to a very fruitful collaboration with Dr. Xuebin Wang, who obtained the negative ion photoelectron (NIPE) spectra of the radical anions of these four molecules and also of (CS)4. Assignments of the signals in these five NIPE spectra required computing the vibrational progressions in them. The necessary acquisition of the ability to simulate the signals in NIPE spectra resulted in the successful analysis of the very complex spectrum of meta-benzoquinone (MBQ) radical anion, which Dr. Wang had already obtained and published. Analysis of this spectrum confirmed the prediction, made more than 20 years previously, that the ordering of the two lowest singlet states in MBQ was reversed from that in meta-benzoquinodimethane (MBQDM). The research described herein illustrates not only the unpredictability of where some research projects will eventually lead, but also the synergy between calculations and experiments in physical-organic chemistry." @default.
• W2045394912 created "2016-06-24" @default.
• W2045394912 creator A5007886088 @default.
• W2045394912 date "2015-02-20" @default.
• W2045394912 modified "2023-09-25" @default.
• W2045394912 title "The Unpredictability of Research Directions and the Synergy between Theory and Experiment in Physical-Organic Chemistry" @default.
• W2045394912 cites W1507204538 @default.
• W2045394912 cites W1964082611 @default.
• W2045394912 cites W1966441459 @default.
• W2045394912 cites W1970157324 @default.
• W2045394912 cites W1974263314 @default.
• W2045394912 cites W1979653817 @default.
• W2045394912 cites W1980847289 @default.
• W2045394912 cites W1992342700 @default.
• W2045394912 cites W1993136085 @default.
• W2045394912 cites W2005372508 @default.
• W2045394912 cites W2007117821 @default.
• W2045394912 cites W2008844584 @default.
• W2045394912 cites W2010011585 @default.
• W2045394912 cites W2014911143 @default.
• W2045394912 cites W2015628247 @default.
• W2045394912 cites W2021123491 @default.
• W2045394912 cites W2023807172 @default.
• W2045394912 cites W2031667861 @default.
• W2045394912 cites W2032597294 @default.
• W2045394912 cites W2033219046 @default.
• W2045394912 cites W2038341583 @default.
• W2045394912 cites W2041794945 @default.
• W2045394912 cites W2042473694 @default.
• W2045394912 cites W2048005619 @default.
• W2045394912 cites W2048737168 @default.
• W2045394912 cites W2052300835 @default.
• W2045394912 cites W2053508080 @default.
• W2045394912 cites W2064286689 @default.
• W2045394912 cites W2064647907 @default.
• W2045394912 cites W2064932453 @default.
• W2045394912 cites W2065146766 @default.
• W2045394912 cites W2068259753 @default.
• W2045394912 cites W2069473490 @default.
• W2045394912 cites W2069785612 @default.
• W2045394912 cites W2073777670 @default.
• W2045394912 cites W2074929265 @default.
• W2045394912 cites W2105501570 @default.
• W2045394912 cites W2113553389 @default.
• W2045394912 cites W2113790721 @default.
• W2045394912 cites W2119942720 @default.
• W2045394912 cites W2130578787 @default.
• W2045394912 cites W2132234443 @default.
• W2045394912 cites W2146406469 @default.
• W2045394912 cites W2170330973 @default.
• W2045394912 cites W2268094461 @default.
• W2045394912 cites W2314160232 @default.
• W2045394912 cites W2318167037 @default.
• W2045394912 cites W2319170260 @default.
• W2045394912 cites W3005300438 @default.
• W2045394912 cites W3022900486 @default.
• W2045394912 cites W4240885477 @default.
• W2045394912 cites W1992241621 @default.
• W2045394912 cites W2059059326 @default.
• W2045394912 doi "https://doi.org/10.1002/ijch.201400170" @default.
• W2045394912 hasPublicationYear "2015" @default.
• W2045394912 type Work @default.
• W2045394912 sameAs 2045394912 @default.
• W2045394912 citedByCount "2" @default.
• W2045394912 countsByYear W20453949122015 @default.
• W2045394912 countsByYear W20453949122017 @default.
• W2045394912 crossrefType "journal-article" @default.
• W2045394912 hasAuthorship W2045394912A5007886088 @default.
• W2045394912 hasConcept C121332964 @default.
• W2045394912 hasConcept C145148216 @default.
• W2045394912 hasConcept C147597530 @default.
• W2045394912 hasConcept C178790620 @default.
• W2045394912 hasConcept C181500209 @default.
• W2045394912 hasConcept C184779094 @default.
• W2045394912 hasConcept C185592680 @default.
• W2045394912 hasConcept C32909587 @default.
• W2045394912 hasConcept C33062035 @default.
• W2045394912 hasConcept C4839761 @default.
• W2045394912 hasConcept C62520636 @default.
• W2045394912 hasConcept C69523127 @default.
• W2045394912 hasConceptScore W2045394912C121332964 @default.
• W2045394912 hasConceptScore W2045394912C145148216 @default.
• W2045394912 hasConceptScore W2045394912C147597530 @default.
• W2045394912 hasConceptScore W2045394912C178790620 @default.
• W2045394912 hasConceptScore W2045394912C181500209 @default.
• W2045394912 hasConceptScore W2045394912C184779094 @default.
• W2045394912 hasConceptScore W2045394912C185592680 @default.
• W2045394912 hasConceptScore W2045394912C32909587 @default.
• W2045394912 hasConceptScore W2045394912C33062035 @default.
• W2045394912 hasConceptScore W2045394912C4839761 @default.
• W2045394912 hasConceptScore W2045394912C62520636 @default.
• W2045394912 hasConceptScore W2045394912C69523127 @default.
• W2045394912 hasLocation W20453949121 @default.
• W2045394912 hasOpenAccess W2045394912 @default.
• W2045394912 hasPrimaryLocation W20453949121 @default.
• W2045394912 hasRelatedWork W1542857507 @default.
• W2045394912 hasRelatedWork W1974115088 @default.
• W2045394912 hasRelatedWork W2021973730 @default.
• W2045394912 hasRelatedWork W2048351684 @default.
• W2045394912 hasRelatedWork W2072665853 @default.

• next