Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data]
Research Data associated with the related publication. Abstract: Non-Kekulé quinoidal azaacences m-A (1a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1b: y0 = 0.88) due to their meta-quinodimethane (m-QDM) topology. Elect...
Gespeichert in:
| Hauptverfasser: | , , , , , , , , , |
|---|---|
| Dokumenttyp: | Datenbank Forschungsdaten |
| Sprache: | Englisch |
| Veröffentlicht: |
Heidelberg
Universität
2024-09-17
|
| DOI: | 10.11588/data/R3IMSQ |
| Schlagworte: | |
| Online-Zugang: | Verlag, kostenfrei, Volltext: https://doi.org/10.11588/data/R3IMSQ Verlag, kostenfrei, Volltext: https://heidata.uni-heidelberg.de/dataset.xhtml?persistentId=doi:10.11588/data/R3IMSQ 
|
| Verfasserangaben: | KathleenFuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, Uwe H.F. Bunz |
MARC
| LEADER | 00000nmi a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 190299177X | ||
| 003 | DE-627 | ||
| 005 | 20240919114556.0 | ||
| 006 | su| d|o |0 |0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 240919c20249999xx |o | eng c | ||
| 024 | 7 | |a 10.11588/data/R3IMSQ |2 doi | |
| 024 | 8 | |a DFG, SFB 1249, 281029004 |q Grant number | |
| 035 | |a (DE-627)190299177X | ||
| 035 | |a (DE-599)KXP190299177X | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 30 |2 sdnb | ||
| 100 | 1 | |a Fuchs, Kathleen |d 1994- |e VerfasserIn |0 (DE-588)1295590646 |0 (DE-627)1852287535 |4 aut | |
| 245 | 1 | 0 | |a Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data] |c KathleenFuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, Uwe H.F. Bunz |
| 264 | 1 | |a Heidelberg |b Universität |c 2024-09-17 | |
| 300 | |a 1 Online-Ressource (8 Files) | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 336 | |a Computerdaten |b cod |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gefördert durch: Deutsche Forschungsgemeinschaft (SFB) 1249 - Project Number 281029004; Projects A1, B1 and B6 | ||
| 500 | |a Gesehen am 19.09.2024 | ||
| 520 | |a Research Data associated with the related publication. Abstract: Non-Kekulé quinoidal azaacences m-A (1a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1b: y0 = 0.88) due to their meta-quinodimethane (m-QDM) topology. Electron paramagnetic, nuclear magnetic resonance spectroscopies and supraquantum interference device measurements in combination with quantum-chemical calculations revealed singlet ground states for m-A with singlet-triplet gaps ΔEST (0.13-0.25 kcal mol-1) and thermally populated triplet states. These non-Kekulé structures are over all void of zwitterionic character and possess record high two-photon absorption cross sections over a broad spectral range in the nearinfrared. | ||
| 650 | 4 | |a Chemistry | |
| 655 | 7 | |a Forschungsdaten |0 (DE-588)1098579690 |0 (DE-627)857755366 |0 (DE-576)469182156 |2 gnd-content | |
| 655 | 7 | |a Datenbank |0 (DE-588)4011119-2 |0 (DE-627)106354256 |0 (DE-576)208891943 |2 gnd-content | |
| 700 | 1 | |a Oberhof, Nils |d 1994- |e VerfasserIn |0 (DE-588)124994838X |0 (DE-627)1786582791 |4 aut | |
| 700 | 1 | |a Sauter, Gabriel |e VerfasserIn |0 (DE-588)133572950X |0 (DE-627)1895390397 |4 aut | |
| 700 | 1 | |a Pollien, Audrey |e VerfasserIn |4 aut | |
| 700 | 1 | |a Brödner, Kerstin |e VerfasserIn |0 (DE-588)1148323503 |0 (DE-627)1008626651 |0 (DE-576)496283758 |4 aut | |
| 700 | 1 | |a Rominger, Frank |d 1964- |e VerfasserIn |0 (DE-588)1019978228 |0 (DE-627)691067821 |0 (DE-576)359202756 |4 aut | |
| 700 | 1 | |a Freudenberg, Jan |d 1988- |e VerfasserIn |0 (DE-588)1093219564 |0 (DE-627)853188386 |0 (DE-576)462642615 |4 aut | |
| 700 | 1 | |a Dreuw, Andreas |d 1972- |e VerfasserIn |0 (DE-588)1060214598 |0 (DE-627)799305626 |0 (DE-576)416304974 |4 aut | |
| 700 | 1 | |a Tegeder, Petra |e VerfasserIn |0 (DE-588)1156634946 |0 (DE-627)1019438894 |0 (DE-576)50233553X |4 aut | |
| 700 | 1 | |a Bunz, Uwe H. F. |d 1963- |e VerfasserIn |0 (DE-588)1080488456 |0 (DE-627)844723223 |0 (DE-576)181112833 |4 aut | |
| 787 | 0 | 8 | |i Forschungsdaten zu |a Fuchs, Kathleen, 1994 - |t Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region |d 2024 |w (DE-627)1902993152 |
| 856 | 4 | 0 | |u https://doi.org/10.11588/data/R3IMSQ |x Verlag |x Resolving-System |z kostenfrei |3 Volltext |
| 856 | 4 | 0 | |u https://heidata.uni-heidelberg.de/dataset.xhtml?persistentId=doi:10.11588/data/R3IMSQ |x Verlag |z kostenfrei |3 Volltext |
| 951 | |a BO | ||
| 992 | |a 20240919 | ||
| 993 | |a ResearchData | ||
| 994 | |a 2024 | ||
| 998 | |g 1080488456 |a Bunz, Uwe H. F. |m 1080488456:Bunz, Uwe H. F. |d 120000 |d 120100 |e 120000PB1080488456 |e 120100PB1080488456 |k 0/120000/ |k 1/120000/120100/ |p 10 |y j | ||
| 998 | |g 1156634946 |a Tegeder, Petra |m 1156634946:Tegeder, Petra |d 120000 |d 120300 |e 120000PT1156634946 |e 120300PT1156634946 |k 0/120000/ |k 1/120000/120300/ |p 9 | ||
| 998 | |g 1060214598 |a Dreuw, Andreas |m 1060214598:Dreuw, Andreas |d 700000 |d 708000 |e 700000PD1060214598 |e 708000PD1060214598 |k 0/700000/ |k 1/700000/708000/ |p 8 | ||
| 998 | |g 1093219564 |a Freudenberg, Jan |m 1093219564:Freudenberg, Jan |d 120000 |d 120100 |e 120000PF1093219564 |e 120100PF1093219564 |k 0/120000/ |k 1/120000/120100/ |p 7 | ||
| 998 | |g 1019978228 |a Rominger, Frank |m 1019978228:Rominger, Frank |d 120000 |d 120100 |e 120000PR1019978228 |e 120100PR1019978228 |k 0/120000/ |k 1/120000/120100/ |p 6 | ||
| 998 | |g 1148323503 |a Brödner, Kerstin |m 1148323503:Brödner, Kerstin |d 120000 |d 120100 |e 120000PB1148323503 |e 120100PB1148323503 |k 0/120000/ |k 1/120000/120100/ |p 5 | ||
| 998 | |g 133572950X |a Sauter, Gabriel |m 133572950X:Sauter, Gabriel |d 130000 |e 130000PS133572950X |k 0/130000/ |p 3 | ||
| 998 | |g 124994838X |a Oberhof, Nils |m 124994838X:Oberhof, Nils |d 700000 |d 708000 |e 700000PO124994838X |e 708000PO124994838X |k 0/700000/ |k 1/700000/708000/ |p 2 | ||
| 998 | |g 1295590646 |a Fuchs, Kathleen |m 1295590646:Fuchs, Kathleen |d 120000 |d 120100 |e 120000PF1295590646 |e 120100PF1295590646 |k 0/120000/ |k 1/120000/120100/ |p 1 |x j | ||
| 999 | |a KXP-PPN190299177X |e 4581670527 | ||
| BIB | |a Y | ||
| JSO | |a {"origin":[{"dateIssuedKey":"2024","publisherPlace":"Heidelberg","publisher":"Universität","dateIssuedDisp":"2024-09-17"}],"title":[{"title_sort":"Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data]","title":"Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data]"}],"type":{"media":"Online-Ressource","bibl":"dataset"},"physDesc":[{"extent":"1 Online-Ressource (8 Files)"}],"id":{"eki":["190299177X"],"doi":["10.11588/data/R3IMSQ"]},"recId":"190299177X","person":[{"display":"Fuchs, Kathleen","given":"Kathleen","role":"aut","family":"Fuchs"},{"given":"Nils","display":"Oberhof, Nils","family":"Oberhof","role":"aut"},{"role":"aut","family":"Sauter","display":"Sauter, Gabriel","given":"Gabriel"},{"display":"Pollien, Audrey","given":"Audrey","role":"aut","family":"Pollien"},{"family":"Brödner","role":"aut","given":"Kerstin","display":"Brödner, Kerstin"},{"display":"Rominger, Frank","given":"Frank","role":"aut","family":"Rominger"},{"family":"Freudenberg","role":"aut","given":"Jan","display":"Freudenberg, Jan"},{"role":"aut","family":"Dreuw","given":"Andreas","display":"Dreuw, Andreas"},{"display":"Tegeder, Petra","given":"Petra","family":"Tegeder","role":"aut"},{"family":"Bunz","role":"aut","given":"Uwe H. F.","display":"Bunz, Uwe H. F."}],"note":["Gefördert durch: Deutsche Forschungsgemeinschaft (SFB) 1249 - Project Number 281029004; Projects A1, B1 and B6","Gesehen am 19.09.2024"],"name":{"displayForm":["KathleenFuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, Uwe H.F. Bunz"]},"language":["eng"]} | ||
| SRT | |a FUCHSKATHLAZAACENEDI2024 | ||