| 000 | 02498nlm1a2200361 4500 | ||
|---|---|---|---|
| 001 | 644804 | ||
| 005 | 20231030040631.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\9888 | ||
| 090 | _a644804 | ||
| 100 | _a20151201a2015 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aUS | ||
| 135 | _adrnn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aAromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization _fG. V. Baryshnikov [et al.] |
|
| 203 |
_aText _celectronic |
||
| 300 | _aTitle screen | ||
| 320 | _a[References: p. 50 tit.] | ||
| 330 | _aA series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from the magnetic criterion point of view. According to calculations all the hetero[8]circulene molecules demonstrate the bifacial aromatic/antiaromatic nature. The inner octatetraene core of the studied [8]circulenes is characterized by the presence of paratropic (“antiaromatic”) ring currents, whereas the outer macrocycle constructed from the five- and six-membered rings possesses the magnetically-induced diatropic (“aromatic”) ring current. The hydrocarbon [8]circulenes studied in this work consist of a similar planar cyclooctatetraene core but they exhibit a rather different balance of magnetically-induced ring currents. | ||
| 333 | _aРежим доступа: по договору с организацией-держателем ресурса | ||
| 461 |
_tJournal of Molecular Modeling _oScientific Journal |
||
| 463 |
_tVol. 21 _v[136 [9 p.] _d2015 |
||
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 701 | 1 |
_aBaryshnikov _bG. V. _gGleb Vladimirovich |
|
| 701 | 1 |
_aKaraush _bN. N. _gNataljya Nikolaevna |
|
| 701 | 1 |
_aMinaev _bB. F. _gBoris Filippovich |
|
| 701 | 1 |
_aValiev _bR. R. _cchemist _cAssistant of Tomsk Polytechnic University _f1983- _gRashid Rinatovich _2stltpush _3(RuTPU)RU\TPU\pers\34114 |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bИнститут физики высоких технологий (ИФВТ) _bКафедра общей и неорганической химии (ОНХ) _h142 _2stltpush _3(RuTPU)RU\TPU\col\18686 |
| 801 | 2 |
_aRU _b63413507 _c20151201 _gRCR |
|
| 856 | 4 | _uhttp://dx.doi.org/10.1007/s00894-015-2683-4 | |
| 942 | _cCF | ||