Proton and lithium cation binding to some β-dicarbonyl compounds
Summary: DFT B3LYP/6-311+G** calculations were performed to study the proton and lithium cation binding to the acetylacetone, hexafluoroacetylacetone, diacetamide, and hexafluorodiacetamide. It was shown that the most stable Li+ adduct always corresponds to cyclic complex based on the trans, trans-k...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000732915/Details |
|---|---|
| Matična publikacija: |
Croatica chemica acta 82 (2009), 1 ; str. 71-77 |
| Glavni autor: | Burk, Peeter (-) |
| Ostali autori: | Taul, Kristo (-), Tammiku-Taul, Jaana |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
Croatica Chemica Acta |
| LEADER | 01709caa a2200313 ir4500 | ||
|---|---|---|---|
| 001 | NSK01000732915 | ||
| 003 | HR-ZaNSK | ||
| 005 | 20130424093456.0 | ||
| 007 | ta | ||
| 008 | 100412s2009 ci ||| ||eng | ||
| 035 | |9 (HR-ZaNSK)735532 | ||
| 035 | |a (HR-ZaNSK)000732915 | ||
| 040 | |a HR-ZaNSK |b hrv |c HR-ZaNSK |e ppiak | ||
| 041 | 0 | |a eng |b hrv | |
| 042 | |a croatica | ||
| 080 | |a 54 |2 MRF 1998. | ||
| 100 | 1 | |a Burk, Peeter | |
| 245 | 1 | 0 | |a Proton and lithium cation binding to some β-dicarbonyl compounds : |b a theoretical study / |c Peeter Burk, Kristo Taul and Jaana Tammiku-Taul. |
| 300 | |b Ilustr. | ||
| 504 | |a Bibliografija: 39 jed | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: DFT B3LYP/6-311+G** calculations were performed to study the proton and lithium cation binding to the acetylacetone, hexafluoroacetylacetone, diacetamide, and hexafluorodiacetamide. It was shown that the most stable Li+ adduct always corresponds to cyclic complex based on the trans, trans-keto form of the base. The product of protonation was found to be similar trans, trans-keto form based cyclic structure in case of diacetamide and hexafluorodiacetamide, while for acetylacetone and hexafluoroacetylacetone the protonation simply involves the addition of proton to (free) carbonyl oxygen in already cyclic enol form of the base with possible rotation of O−H bond | |
| 653 | 0 | |a Proton |a Litijev kation |a β-dikarbonilni spojevi |a Bazičnost | |
| 700 | 1 | |a Taul, Kristo | |
| 700 | 1 | |a Tammiku-Taul, Jaana | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 82 (2009), 1 ; str. 71-77 |w nsk.(HR-ZaNSK)000001621 | |
| 981 | |b B01/09 |p CRO | ||
| 998 | |a rado100412 |c vol2o130424 | ||
| 856 | 4 | 2 | |u http://hrcak.srce.hr/cca |y Croatica Chemica Acta |