Neutral intramolecular hydrogen-bonded bases
Summary: B3LYP/aug-cc-pVDZ computations were carried out on polyamines with up to seven amino groups. The gas-phase proton affinities of these compounds are 219.6 (1-BuNH2), 238.6 (H2NCH2CH2CH2CH2NH2), 252.8 [(H2NCH2CH2CH2)2CHNH2], 261.3 [(H2NCH2CH2CH2)2CNH2 (1)], and 288.5 kcal mol−1 [(H2NCH2CH2CH(...
| Permalink: | http://skupnikatalog.nsk.hr/Record/nsk.NSK01000732901/Details |
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| Matična publikacija: |
Croatica chemica acta 82 (2009), 1 ; str. |
| Glavni autor: | Tian, Zhixin (-) |
| Ostali autori: | Fattahi, Alireza (-), Lis, Lev, Kass, Steven R. |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
Croatica Chemica Acta |
| LEADER | 01814caa a2200325 ir4500 | ||
|---|---|---|---|
| 001 | NSK01000732901 | ||
| 003 | HR-ZaNSK | ||
| 005 | 20130424092445.0 | ||
| 007 | ta | ||
| 008 | 100412s2009 ci ||| ||eng | ||
| 035 | |9 (HR-ZaNSK)735518 | ||
| 035 | |a (HR-ZaNSK)000732901 | ||
| 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 Tian, Zhixin | |
| 245 | 1 | 0 | |a Neutral intramolecular hydrogen-bonded bases / |c Zhixin Tian, Alireza Fattahi, Lev Lis and Steven R. Kass. |
| 300 | |b Ilustr. | ||
| 504 | |a Bibliografija: 50 jed | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: B3LYP/aug-cc-pVDZ computations were carried out on polyamines with up to seven amino groups. The gas-phase proton affinities of these compounds are 219.6 (1-BuNH2), 238.6 (H2NCH2CH2CH2CH2NH2), 252.8 [(H2NCH2CH2CH2)2CHNH2], 261.3 [(H2NCH2CH2CH2)2CNH2 (1)], and 288.5 kcal mol−1 [(H2NCH2CH2CH(NH2)CH2CH2)2CNH2]. These results indicate that the tetraamine is near the top of the basicity scale and the heptaamine is more basic than any neutral organic compound which has been measured to date. A gas-phase equilibrium acidity determination between 1 and DBU also was carried out, and PA(1) = 256.2 ± 2.1 kcal mol−1 was obtained. This demonstrates that multiple intramolecular hydrogen bonds can greatly increase basicities, and represents a new motif for designing super bases | |
| 653 | 0 | |a Neutralna baza |a Intramolekularna vodikova veza |a Superbaza |a Plinska faza | |
| 700 | 1 | |a Fattahi, Alireza | |
| 700 | 1 | |a Lis, Lev | |
| 700 | 1 | |a Kass, Steven R. | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 82 (2009), 1 ; str. |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 |