Charge separation, charge recombination, long-lived charge transfer state formation and intersystem crossing in organic electron donor/acceptor dyads

Y Hou, X Zhang, K Chen, D Liu, Z Wang… - Journal of Materials …, 2019 - pubs.rsc.org
Photo-induced charge separation (CS) and charge recombination (CR) are crucial for
molecular systems used in artificial photosynthesis, photovoltaics, and photocatalysis, and …

Structural changes accompanying intramolecular electron transfer: focus on twisted intramolecular charge-transfer states and structures

ZR Grabowski, K Rotkiewicz, W Rettig - Chemical reviews, 2003 - ACS Publications
Zbigniew Ryszard Grabowski was born 1927 (original prewar name Ryszard Abrahamer).
Under the German occupation he was self-taught while in hiding. He took part in the Warsaw …

Photoinduced intramolecular charge transfer in 4-(dimethyl) aminobenzonitrile− a theoretical perspective

D Rappoport, F Furche - Journal of the American Chemical …, 2004 - ACS Publications
Recent advances in time-dependent density functional theory (TDDFT) have led to
computational methods that can predict properties of photoexcited molecules with …

Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino) benzonitrile in acetonitrile

SI Druzhinin, NP Ernsting, SA Kovalenko… - The Journal of …, 2006 - ACS Publications
The kinetics of the intramolecular charge-transfer (ICT) reaction of 4-(dimethylamino)
benzonitrile (DMABN) in the polar solvent acetonitrile (MeCN) is investigated by …

Multifaceted ultrafast intramolecular charge transfer dynamics of 4-(dimethylamino) benzonitrile (DMABN)

M Park, CH Kim, T Joo - The Journal of Physical Chemistry A, 2013 - ACS Publications
Intramolecular charge transfer (ICT) of DMABN has been the subject of extensive
investigations. Through the measurements of highly time-resolved fluorescence spectra …

Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino) benzonitriles

K Dahl, R Biswas, N Ito… - The Journal of Physical …, 2005 - ACS Publications
Steady-state absorption and emission spectra and emission decay kinetics are reported for
4-aminobenzonitrile (ABN), 4-(1-azetidinyl) benzonitrile (P4C), 4-(1-pyrrolidinyl) benzonitrile …

Toward an integrated computational approach to CW-ESR spectra of free radicals

V Barone, A Polimeno - Physical Chemistry Chemical Physics, 2006 - pubs.rsc.org
Interpretation of structural properties and dynamic behaviour of molecules in solution is of
fundamental importance to understand their stability, chemical reactivity and catalytic action …

A comparative theoretical study on DMABN: significance of excited state optimized geometries and direct comparison of methodologies

ABJ Parusel, W Rettig, W Sudholt - The Journal of Physical …, 2002 - ACS Publications
Theoretical studies are presented for 4,-N, N-dimethylaminobenzonitrile (DMABN) by using
the semiempirical Austin model 1 (AM1) and ab initio Hartree− Fock (HF) methodology for …

Ultrafast charge transfer via a conical intersection in dimethylaminobenzonitrile

W Fuß, KK Pushpa, W Rettig, WE Schmid… - Photochemical & …, 2002 - Springer
The La-like S2 state (2A) of 4-(dimethylamino) benzonitrile was pumped at 267 nm in the
gas phase at 130° C. Nonresonant multiphoton ionization at 800 nm with mass-selective …

Role of intramolecular torsion and solvent dynamics in the charge-transfer kinetics in triphenylphosphine oxide derivatives and DMABN

P Changenet, P Plaza, MM Martin… - The Journal of Physical …, 1997 - ACS Publications
The photoinduced processes in three dimethylamino derivatives of the triphenylphosphine
oxide (OMAP, ODAP, and OTAP) are studied in solution at room temperature by time …