Quantum chemical study of the formation of cyclophane structure in the alkylation of 1,3-bis(benzotriazolyl)-propan-2-one with 1,3-dihalopropan-2-ones
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| 024 | 7 | 0 | |a 10.1134/S107042801510019X |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1134/S107042801510019X | ||
| 245 | 0 | 0 | |a Quantum chemical study of the formation of cyclophane structure in the alkylation of 1,3-bis(benzotriazolyl)-propan-2-one with 1,3-dihalopropan-2-ones |h [Elektronische Daten] |c [V. Shagun, N. Yarosh, L. Shagun] |
| 520 | 3 | |a The formation of benzotriazolaphane with carbonylbismethylene spacers in the reaction of 1,3-bis-(benzotriazolyl)propan-2-one with 1,3-dichloro-, 1,3-dibromo-, and 1,3-diiodopropan-2-ones has been simulated at the B3LYP/6-311G(d,p) level of theory. According to the calculations, the macrocyclic system can be formed only in the reaction of 1,3-bis(benzotriazolyl)propan-2-one with 1,3-diiodopropan-2-one due to additional stabilization of the macrocycle by triiodide ion. | |
| 540 | |a Pleiades Publishing, Ltd., 2015 | ||
| 700 | 1 | |a Shagun |D V. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 700 | 1 | |a Yarosh |D N. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 700 | 1 | |a Shagun |D L. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | |
| 773 | 0 | |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/10(2015-10-01), 1464-1468 |x 1070-4280 |q 51:10<1464 |1 2015 |2 51 |o 11178 | |
| 856 | 4 | 0 | |u https://doi.org/10.1134/S107042801510019X |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1134/S107042801510019X |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Shagun |D V. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Yarosh |D N. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Shagun |D L. |u Favorskii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, ul. Favorskogo 1, 664033, Irkutsk, Russia |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Russian Journal of Organic Chemistry |d Pleiades Publishing |g 51/10(2015-10-01), 1464-1468 |x 1070-4280 |q 51:10<1464 |1 2015 |2 51 |o 11178 | ||