| 000 | 02720nlm1a2200385 4500 | ||
|---|---|---|---|
| 001 | 648512 | ||
| 005 | 20231030040839.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\13671 | ||
| 090 | _a648512 | ||
| 100 | _a20160523a2016 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aCH | ||
| 135 | _adrcn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aPhotochemistry of the а-Al[2]O[3]-PETN Interface _fR. V. Tsyshevsky [et al.] |
|
| 203 |
_aText _celectronic |
||
| 320 | _a[References: 58 tit.] | ||
| 330 | _aOptical absorption measurements are combined with electronic structure calculations to explore photochemistry of an a-Al2O3-PETN interface formed by a nitroester (pentaerythritol tetranitrate, PETN, C5H5N5O12) and a wide band gap aluminum oxide (a-Al2O3) substrate. The first principles modeling is used to deconstruct and interpret the a-Al2O3-PETN absorption spectrum that has distinct peaks attributed to surface F0-centers and surface-PETN transitions. We predict the low energy a-Al2O3 F0-center-PETN transition, producing the excited triplet state, and a-Al2O3 F0-center-PETN charge transfer, generating the PETN anion radical. This implies that irradiation by commonly used lasers can easily initiate photodecomposition of both excited and charged PETN at the interface. The feasible mechanism of the photodecomposition is proposed. | ||
| 461 | _tMolecules | ||
| 463 |
_tVol. 21, iss. 3 _v[13 p.] _d2016 |
||
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aфотохимия | |
| 610 | 1 | _aоптическое поглощение | |
| 610 | 1 | _aмоделирование | |
| 701 | 1 |
_aTsyshevsky _bR. V. _gRoman Vitaljevich |
|
| 701 | 1 |
_aZverev _bA. S. _cChemist _cAssistant of Yurga Technological Institute (branch) of Tomsk Polytechnic University _f1987- _gAnton Sergeevich _2stltpush _3(RuTPU)RU\TPU\pers\36704 |
|
| 701 | 1 |
_aMitrofanov _bA. Yu. _cChemist _cAssociate Professor of Yurga Technological Institute (branch) of Tomsk Polytechnic University, Candidate of physical and mathematical sciences _f1976- _gAnatoliy Yuryevich _2stltpush _3(RuTPU)RU\TPU\pers\36705 |
|
| 701 | 1 |
_aRashkeev _bS. N. _gSergey Nikolaevich |
|
| 701 | 1 |
_aKuklya _bM. M. _gMayya Mikhaylovna |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bЮргинский технологический институт (филиал) (ЮТИ) _bКафедра естественного научного образования (ЕНО) _h7134 _2stltpush _3(RuTPU)RU\TPU\col\18894 |
| 801 | 2 |
_aRU _b63413507 _c20160523 _gRCR |
|
| 856 | 4 | 0 | _uhttp://dx.doi.org/10.3390/molecules21030289 |
| 942 | _cCF | ||