NMR-Rechnungen Dibrom-bianthryl (Jens Walther): Unterschied zwischen den Versionen
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=== cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen === | === cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen === | ||
[[Datei:cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen.png | | {{subst:Absatz}} | ||
[[Datei:cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen.png | right | 600px]] | |||
Trying to automatically assign NMR standard reference. | Trying to automatically assign NMR standard reference. | ||
Filename: cis-dibrom-bianthryl-c2.nmr.log | Filename: cis-dibrom-bianthryl-c2.nmr.log | ||
Version vom 2. März 2009, 15:03 Uhr
cis-1,2-Bis-(10-bromanthracen-9-yl)ethylen
{{subst:Absatz}}
ethylen.png)
Trying to automatically assign NMR standard reference. Filename: cis-dibrom-bianthryl-c2.nmr.log Reference tms B3LYP/6-31G* H : 32.182000 C : 189.771800 Si : 414.381400 Nr Sym absshield nmrshift 1 C 53.918000 135.8538 2 C 65.411100 124.3607 3 C 65.576100 124.1957 4 C 65.026600 124.7452 5 C 66.009100 123.7627 6 C 62.704800 127.0670 7 C 66.517700 123.2541 8 C 70.740100 119.0317 9 C 69.890000 119.8818 10 C 69.941200 119.8306 11 C 68.040300 121.7315 12 C 67.530500 122.2413 13 C 70.660100 119.1117 14 C 69.660300 120.1115 15 C 61.808300 127.9635 16 H 23.626200 8.5558 17 H 23.642300 8.5397 18 H 24.554900 7.6271 19 H 24.052600 8.1294 20 H 24.392300 7.7897 21 C 61.808300 127.9635 22 C 62.704800 127.0670 23 C 65.026600 124.7452 24 C 66.009100 123.7627 25 C 65.576100 124.1957 26 C 65.411100 124.3607 27 C 53.918000 135.8538 28 C 67.530500 122.2413 29 C 70.660100 119.1117 30 C 68.040300 121.7315 31 C 69.660300 120.1115 32 C 70.740100 119.0317 33 C 66.517700 123.2541 34 C 69.941200 119.8306 35 C 69.890000 119.8818 36 H 24.392300 7.7897 37 H 24.052600 8.1294 38 H 25.141200 7.0408 39 H 23.626200 8.5558 40 H 24.526500 7.6555 41 Br 2324.690300 - 42 Br 2324.690300 - 43 H 24.526500 7.6555 44 H 25.141200 7.0408 45 H 25.640500 6.5415 46 H 24.554900 7.6271 47 H 25.640500 6.5415 48 H 24.249800 7.9322 49 H 24.249800 7.9322 50 H 23.642300 8.5397