6. Rehybridization of the Acceptor (RICT) 3908 7. Planarization of the Molecule (PICT) 3909 III. Fluorescence Spectroscopy 3909 A. Solvent Effects and the Model Compounds 3909 1. Solvent Effects on the Spectra 3909 2. Steric Effects and Model Compounds 3911 3. Bandwidths 3913 4. Isoemissive Points 3914 B. Dipole Moments 3915 C. Radiative Rates and Transition Moments 3916 1. Quantum Yields and Radiationless Deactivation Processes 3916

Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures

In this paper we present the theory and implementation of analytic derivatives of time-dependent density functional theory (TDDFT) excited states energies, both in vacuo and including solvent effects by means of the polarizable continuum model. The method is applied to two case studies: p-nitroaniline and 4-(dimethyl)aminobenzonitrile. For both molecules PCM-TDDFT is shown to be successful in supporting the analysis of experimental data with useful insights for a better understanding of photophysical and photochemical pathways in solution.

Geometries and properties of excited states in the gas phase and in solution: theory and application of a time-dependent density functional theory polarizable continuum model.

Isolation and synthesis of biologically active carbazole alkaloids

https://www.ks.uiuc.edu/Publications/Papers/PDF/RITZ2000/RITZ2000.pdf

A Model for Photoreceptor-Based Magnetoreception in Birds

Alternating carbazole−quinoline and phenothiazine−quinoline donor−acceptor conjugated copolymers and a corresponding oligomer were synthesized, and their solution and solid-state photophysics were investigated. The new copolymers, poly(2,2‘-9-methyl-3,6-carbazolylene-6,6‘-bis(4-phenylquinoline)) and poly(2,2‘-10-methyl-3,7-phenothiazylene-6,6‘-bis(4-phenylquinoline)), had intrinsic viscosities of 11.2−22.0 dL/g, indicating very high molecular weights. The optical band gaps of the new copolymers were 2.35−2.64 eV, which are significantly smaller than the corresponding homopolymers. The absorption and emission spectra of the related donor−acceptor oligomers, 3,6-[bis(4-phenyl-2-quinolyl)]-9-methylcarbazole and 3,7-[bis(4-phenyl-2-quinolyl)]-10-methylphenothiazine, in solvents of varying polarity showed positive solvatochromism. An unusual dual fluorescence, with a blue emission band at 454 nm and an orange emission band at 584 nm, was observed in solid films of the carbazole-linked oligomer and related to i...

New Conjugated Polymers with Donor−Acceptor Architectures: Synthesis and Photophysics of Carbazole−Quinoline and Phenothiazine−Quinoline Copolymers and Oligomers Exhibiting Large Intramolecular Charge Transfer

Singlet excited-state dipole moments of a number of aminobenzonitriles have been determined in cyclohexane, benzene, and 1,4-dioxane, using time-resolved microwave conductivity (TRMC) and fluorescence spectroscopy techniques. For the 4-(dialkylamino)benzonitriles (methyl, ethyl, propyl, and decyl) intramolecular charge transfer (ICT) occurs in the excited singlet state even in the nonpolar solvent cyclohexane

Excited-state dipole moments of dual fluorescent 4-(dialkylamino)benzonitriles: influence of alkyl chain length and effective solvent polarity

The intramolecular charge transfer (ICT) reaction from the locally excited state (LE) to the charge transfer state (CT) in the singlet excited state is investigated for the dual fluorescent 4-(dial...

Wolfgang Kuehnle

Papers

Excited-state dipole moments of dual fluorescent 4-(dialkylamino)benzonitriles: influence of alkyl chain length and effective solvent polarity

Intramolecular charge transfer in dual fluorescent 4-(dialkylamino)benzonitriles.

Ground-state dimers in excimer-forming bichromophoric molecules. 1. Bis(pyrenylcarboxy)alkanes

Electron transfer, solvation, and amplified stimulated emission of pyrene-DMA and anthracene-DMA

Kinetics of excited-state proton transfer in double benzoxazoles: 2,5-bis(2-benzoxazolyl)-4-methoxyphenol