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2Â¥2012-05-12 10:44:19
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°®ÓëÓêÏÂ: ½ð±Ò+1 2012-05-14 21:17:13
°®ÓëÓêÏÂ: ½ð±Ò+1 2012-05-14 21:17:13
| Abstract: The gradient - corrected density functional theory method , calculate the BODIPY - A , B BODIPY - infrared spectroscopy (IR), electronic absorption spectroscopy ( UV - vis) . And compared with experimental values , confirming the BODIPY A and BODIPY B, in the infrared spectra of the three obvious peak , there has been a common peak ¦Í7 infrared spectrum frequency ( ¦Í ) values from top to bottom are gradually increasing , the ¦Í6 BODIPY A and the BODIPY B ¦Í7 numerical difference between the closer, the corresponding absorption peaks attributable to both the CH in-plane bending vibration the BODIPY A, in the ¦Í7, ¦Í10 with BODIPY B ¦Í8 , ¦Í10 numerical comparison close to , the the the BODIPY A ¦Í7 ( 1533.69 cm - 1) and the the BODIPY B ¦Í8 ( 1533.98 cm -1 ) mainly due to the absorption intensity approach and the corresponding peak absorption attributed to the C = C stretching vibration.And analyzed the characteristics of the BODIPY A, BODIPY B, electronic absorption spectroscopy ( UV -vis ) , UV spectra with three absorption band, the electronic transition , including ( HUMO -LUMO HUMO -1 -LUMO HUMO -LUMO +3 ), of which three absorption band wavelength (¦Ë) from top to bottom are gradually reduced, the corresponding strength ( f ) gradually decreases , spectral blue shift is consistent with the corresponding experimental values |
3Â¥2012-05-14 01:07:50













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