PMID- 32780911
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20201217
LR  - 20201217
IS  - 1521-3773 (Electronic)
IS  - 1433-7851 (Linking)
VI  - 59
IP  - 46
DP  - 2020 Nov 9
TI  - Tailoring Spectral and Photochemical Properties of Bioinspired Retinal Mimics by 
      in Silico Engineering.
PG  - 20619-20627
LID - 10.1002/anie.202008644 [doi]
AB  - Controlling the spectral tunability and isomerization activity is currently one 
      of the hot topics in the design of photoreversible molecular switches for 
      application in optoelectronic devices. The present work demonstrates how to 
      manipulate the absorption of the retinal protonated Schiff base (rPSB) 
      chromophore over the entire visible range by targeted functionalization of the 
      retinal backbone. Moreover, a correlation between the vertical excitation energy 
      and the profile of the potential energy surface of the bright excited state 
      responsible for the photoreactivity of rPSB is established. This correlation was 
      exploited to rank the functionalized rPSBs into different classes with 
      characteristic photoisomerization activity. Eventually, the synergic effects of 
      functionalization and of external electric fields in the range of a few MV cm(-1) 
      were applied to achieve reversable and regioselective control of the 
      photoisomerization propensity of selected rPBS derivatives.
CI  - (c) 2020 Wiley-VCH GmbH.
FAU - El-Tahawy, Mohsen M T
AU  - El-Tahawy MMT
AUID- ORCID: 0000-0002-9561-9521
AD  - Dipartimento di Chimica industriale "Toso Montanari", Universita di Bologna, 
      Viale del Risorigmento 4, 40136, Bologna, Italy.
AD  - Chemistry Department, Faculty of Science, Damanhour University, Damanhour, 22511, 
      Egypt.
FAU - Conti, Irene
AU  - Conti I
AUID- ORCID: 0000-0001-7982-4480
AD  - Dipartimento di Chimica industriale "Toso Montanari", Universita di Bologna, 
      Viale del Risorigmento 4, 40136, Bologna, Italy.
FAU - Bonfanti, Matteo
AU  - Bonfanti M
AUID- ORCID: 0000-0002-6361-5163
AD  - Dipartimento di Chimica industriale "Toso Montanari", Universita di Bologna, 
      Viale del Risorigmento 4, 40136, Bologna, Italy.
FAU - Nenov, Artur
AU  - Nenov A
AUID- ORCID: 0000-0003-3071-5341
AD  - Dipartimento di Chimica industriale "Toso Montanari", Universita di Bologna, 
      Viale del Risorigmento 4, 40136, Bologna, Italy.
FAU - Garavelli, Marco
AU  - Garavelli M
AUID- ORCID: 0000-0002-0796-289X
AD  - Dipartimento di Chimica industriale "Toso Montanari", Universita di Bologna, 
      Viale del Risorigmento 4, 40136, Bologna, Italy.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20200915
PL  - Germany
TA  - Angew Chem Int Ed Engl
JT  - Angewandte Chemie (International ed. in English)
JID - 0370543
SB  - IM
OTO - NOTNLM
OT  - Schiff bases
OT  - absorption
OT  - isomerization
OT  - optoelectronics
OT  - photochemistry
EDAT- 2020/08/12 06:00
MHDA- 2020/08/12 06:01
CRDT- 2020/08/12 06:00
PHST- 2020/07/01 00:00 [received]
PHST- 2020/08/12 06:00 [pubmed]
PHST- 2020/08/12 06:01 [medline]
PHST- 2020/08/12 06:00 [entrez]
AID - 10.1002/anie.202008644 [doi]
PST - ppublish
SO  - Angew Chem Int Ed Engl. 2020 Nov 9;59(46):20619-20627. doi: 
      10.1002/anie.202008644. Epub 2020 Sep 15.