Site-specific electronic structure of imidazole and imidazolium in aqueous solutions
The occupied and unoccupied electronic structure of imidazole (C3N2H4) and imidazolium (C3N2H5+) in aqueous solutions is studied by X-ray emission spectroscopy (XES) and resonant inelastic soft X-ray scattering (RIXS). Both systems show distinct RIXS fingerprints with strong resonant effects. A comp...
Saved in:
| Main Authors: | , , , , , , , , , , , |
|---|---|
| Format: | Article (Journal) |
| Language: | English |
| Published: |
2018
|
| In: |
Physical chemistry, chemical physics
Year: 2018, Volume: 20, Issue: 12, Pages: 8302-8310 |
| ISSN: | 1463-9084 |
| DOI: | 10.1039/C7CP07885D |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1039/C7CP07885D Verlag, lizenzpflichtig, Volltext: https://pubs.rsc.org/en/content/articlelanding/2018/cp/c7cp07885d 
|
| Author Notes: | F. Meyer, M. Blum, A. Benkert, D. Hauschild, Y.L. Jeyachandran, R.G. Wilks, W. Yang, M. Bär, F. Reinert, C. Heske, M. Zharnikov, and L. Weinhardt |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 1694255530 | ||
| 003 | DE-627 | ||
| 005 | 20230427094945.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 200408s2018 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1039/C7CP07885D |2 doi | |
| 035 | |a (DE-627)1694255530 | ||
| 035 | |a (DE-599)KXP1694255530 | ||
| 035 | |a (OCoLC)1341314268 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 29 |2 sdnb | ||
| 100 | 1 | |a Meyer, Frank |e VerfasserIn |0 (DE-588)1096228289 |0 (DE-627)856637475 |0 (DE-576)467930392 |4 aut | |
| 245 | 1 | 0 | |a Site-specific electronic structure of imidazole and imidazolium in aqueous solutions |c F. Meyer, M. Blum, A. Benkert, D. Hauschild, Y.L. Jeyachandran, R.G. Wilks, W. Yang, M. Bär, F. Reinert, C. Heske, M. Zharnikov, and L. Weinhardt |
| 264 | 1 | |c 2018 | |
| 300 | |a 9 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 08.04.2020 | ||
| 520 | |a The occupied and unoccupied electronic structure of imidazole (C3N2H4) and imidazolium (C3N2H5+) in aqueous solutions is studied by X-ray emission spectroscopy (XES) and resonant inelastic soft X-ray scattering (RIXS). Both systems show distinct RIXS fingerprints with strong resonant effects. A comparison with calculated X-ray emission spectra of isolated imidazole and imidazolium suggests only a small influence of hydrogen bonding in the aqueous solution on the electronic structure of imidazole and imidazolium, and allows the attribution of specific spectral features to the non-equivalent nitrogen and carbon atoms in the molecules. In the case of nitrogen, this can also be achieved by site-selective resonant excitation. Furthermore, we find spectator shifts and symmetry selectivity in the RIXS spectra, as well as indications for rapid proton dynamics on the femtosecond timescale of the RIXS process, and derive the HOMO-LUMO gaps for the two molecules in aqueous solution. | ||
| 700 | 1 | |a Blum, M. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Benkert, A. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Hauschild, D. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Jeyachandran, Yekkoni Lakshmanan |e VerfasserIn |0 (DE-588)1165341867 |0 (DE-627)1029425159 |0 (DE-576)510371043 |4 aut | |
| 700 | 1 | |a Wilks, R. G. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Yang, W. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Bär, M. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Reinert, F. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Heske, C. |e VerfasserIn |4 aut | |
| 700 | 1 | |a Zharnikov, Michael |e VerfasserIn |0 (DE-588)1118537629 |0 (DE-627)872019810 |0 (DE-576)479525889 |4 aut | |
| 700 | 1 | |a Weinhardt, L. |e VerfasserIn |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Physical chemistry, chemical physics |d Cambridge : RSC Publ., 1999 |g 20(2018), 12, Seite 8302-8310 |h Online-Ressource |w (DE-627)270125175 |w (DE-600)1476244-4 |w (DE-576)080160328 |x 1463-9084 |7 nnas |a Site-specific electronic structure of imidazole and imidazolium in aqueous solutions |
| 773 | 1 | 8 | |g volume:20 |g year:2018 |g number:12 |g pages:8302-8310 |g extent:9 |a Site-specific electronic structure of imidazole and imidazolium in aqueous solutions |
| 856 | 4 | 0 | |u https://doi.org/10.1039/C7CP07885D |x Verlag |x Resolving-System |z lizenzpflichtig |3 Volltext |
| 856 | 4 | 0 | |u https://pubs.rsc.org/en/content/articlelanding/2018/cp/c7cp07885d |x Verlag |z lizenzpflichtig |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20200408 | ||
| 993 | |a Article | ||
| 994 | |a 2018 | ||
| 998 | |g 1118537629 |a Zharnikov, Michael |m 1118537629:Zharnikov, Michael |d 120000 |d 120300 |e 120000PZ1118537629 |e 120300PZ1118537629 |k 0/120000/ |k 1/120000/120300/ |p 11 | ||
| 998 | |g 1165341867 |a Jeyachandran, Yekkoni Lakshmanan |m 1165341867:Jeyachandran, Yekkoni Lakshmanan |d 120000 |d 120300 |e 120000PJ1165341867 |e 120300PJ1165341867 |k 0/120000/ |k 1/120000/120300/ |p 5 | ||
| 999 | |a KXP-PPN1694255530 |e 3620464278 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"relHost":[{"recId":"270125175","name":{"displayForm":["RSC, Royal Society of Chemistry"]},"disp":"Site-specific electronic structure of imidazole and imidazolium in aqueous solutionsPhysical chemistry, chemical physics","origin":[{"publisherPlace":"Cambridge","dateIssuedKey":"1999","publisher":"RSC Publ.","dateIssuedDisp":"1999-"}],"id":{"zdb":["1476244-4"],"issn":["1463-9084"],"eki":["270125175"]},"corporate":[{"display":"Royal Society of Chemistry","role":"isb"}],"type":{"media":"Online-Ressource","bibl":"periodical"},"physDesc":[{"extent":"Online-Ressource"}],"language":["eng"],"title":[{"subtitle":"PCCP ; a journal of European chemical societies","title":"Physical chemistry, chemical physics","title_sort":"Physical chemistry, chemical physics"}],"part":{"year":"2018","issue":"12","extent":"9","text":"20(2018), 12, Seite 8302-8310","pages":"8302-8310","volume":"20"},"note":["Gesehen am 20.02.24"],"titleAlt":[{"title":"PCCP"}],"pubHistory":["1.1999 -"]}],"note":["Gesehen am 08.04.2020"],"recId":"1694255530","name":{"displayForm":["F. Meyer, M. Blum, A. Benkert, D. Hauschild, Y.L. Jeyachandran, R.G. Wilks, W. Yang, M. Bär, F. Reinert, C. Heske, M. Zharnikov, and L. Weinhardt"]},"origin":[{"dateIssuedKey":"2018","dateIssuedDisp":"2018"}],"id":{"doi":["10.1039/C7CP07885D"],"eki":["1694255530"]},"physDesc":[{"extent":"9 S."}],"language":["eng"],"type":{"media":"Online-Ressource","bibl":"article-journal"},"title":[{"title_sort":"Site-specific electronic structure of imidazole and imidazolium in aqueous solutions","title":"Site-specific electronic structure of imidazole and imidazolium in aqueous solutions"}],"person":[{"family":"Meyer","role":"aut","given":"Frank","display":"Meyer, Frank"},{"family":"Blum","role":"aut","given":"M.","display":"Blum, M."},{"family":"Benkert","given":"A.","role":"aut","display":"Benkert, A."},{"display":"Hauschild, D.","given":"D.","role":"aut","family":"Hauschild"},{"given":"Yekkoni Lakshmanan","role":"aut","family":"Jeyachandran","display":"Jeyachandran, Yekkoni Lakshmanan"},{"display":"Wilks, R. G.","family":"Wilks","given":"R. G.","role":"aut"},{"display":"Yang, W.","family":"Yang","given":"W.","role":"aut"},{"given":"M.","role":"aut","family":"Bär","display":"Bär, M."},{"display":"Reinert, F.","family":"Reinert","role":"aut","given":"F."},{"family":"Heske","given":"C.","role":"aut","display":"Heske, C."},{"display":"Zharnikov, Michael","given":"Michael","role":"aut","family":"Zharnikov"},{"family":"Weinhardt","role":"aut","given":"L.","display":"Weinhardt, L."}]} | ||
| SRT | |a MEYERFRANKSITESPECIF2018 | ||