Calculated triplet state energies of carbonylheme complexes: relevance to photodissociation and postulated paramagnetic component

1982 ◽  
Vol 104 (12) ◽  
pp. 3513-3515 ◽  
Author(s):  
Ahmad Waleh ◽  
Gilda H. Loew
Keyword(s):  
Triplet State ◽  
Paramagnetic Component

A nitroreductase-activatable near-infrared theranostic photosensitizer for photodynamic therapy under mild hypoxia

2020 ◽  
Vol 56 (43) ◽  
pp. 5819-5822
Author(s):  
Jing Zheng ◽  
Yongzhuo Liu ◽  
Fengling Song ◽  
Long Jiao ◽  
Yingnan Wu ◽  
...  
Keyword(s):  
Photodynamic Therapy ◽  
Triplet State ◽  
Near Infrared ◽  
Mild Hypoxia

In this study, a near-infrared (NIR) theranostic photosensitizer was developed based on a heptamethine aminocyanine dye with a long-lived triplet state.

Effect of Aggregation on Bacteriochlorin a Triplet-state Formation: A Laser Flash Photolysis Study¶

2002 ◽  
Vol 76 (5) ◽  
pp. 480 ◽  
Author(s):  
Xavier Damoiseau ◽  
Francis Tfibel ◽  
Maryse Hoebeke ◽  
Marie-Pierre Fontaine-Aupart
Keyword(s):  
Triplet State ◽  
State Formation ◽  
Flash Photolysis ◽  
Laser Flash Photolysis ◽  
Laser Flash

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

2019 ◽  
Author(s):  
Madhumita Rano ◽  
Sumanta K Ghosh ◽  
Debashree Ghosh
Keyword(s):  
Triplet State ◽  
Small Molecules ◽  
In Silico ◽  
Qualitative Agreement ◽  
Rational Design ◽  
Polyaromatic Hydrocarbons ◽  
Spin Hamiltonian ◽  
Spin Frustration ◽  
Computationally Efficient ◽  
High Level

<div>Combining the roles of spin frustration and geometry of odd and even numbered rings in polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small singlet-triplet gaps and stable triplet ground states. Furthermore, a computationally efficient protocol with a model spin Hamiltonian is shown to be capable of qualitative agreement with respect to high level multireference calculations and therefore, can be used for fast molecular discovery and screening.</div>

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