TY  - JOUR
A1  - Büchner, Robby
A1  - da Cruz, Vinicius Vaz
A1  - Grover, Nitika
A1  - Charisiadis, Asterios
A1  - Fondell, Mattis
A1  - Haverkamp, Robert
A1  - Senge, Mathias O.
A1  - Föhlisch, Alexander
T1  - Fundamental electronic changes upon intersystem crossing in large aromatic photosensitizers: free base 5,10,15,20-tetrakis(4-carboxylatophenyl)porphyrin
T2  - Physical chemistry, chemical physics : a journal of European Chemical Societies
N2  - Free base 5,10,15,20-tetrakis(4-carboxylatophenyl)porphyrin stands for the class of powerful porphyrin photosensitizers for singlet oxygen generation and light-harvesting. The atomic level selectivity of dynamic UV pump - N K-edge probe X-ray absorption spectroscopy in combination with time-dependent density functional theory (TD-DFT) gives direct access to the crucial excited molecular states within the unusual relaxation pathway. 
The efficient intersystem crossing, that is El-Sayed forbidden and not facilitated by a heavy atom is confirmed to be the result of the long singlet excited state lifetime (Q(x) 4.9 ns) and thermal effects. 
Overall, the interplay of stabilization by conservation of angular momenta and vibronic relaxation drive the de-excitation in these chromophores.
Y1  - 2022
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/63719
SN  - 1463-9076
SN  - 1463-9084
VL  - 24
IS  - 12
SP  - 7505
EP  - 7511
PB  - Royal Society of Chemistry
CY  - Cambridge
ER  -