Photophysical and theoretical studies of photoisomerism and rotamerism of trans-styrylphenanthrenes

Journal Article · Thu Aug 27 04:00:00 EDT 1987 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100302a020· OSTI ID:5916381

Bartocci, G; Masetti, F; Mazzucato, U; Spalletti, A; Baraldi, I; Momicchioli, F

The photophysical and photochemical properties and the ground-state conformational equilibrium of trans-n-styrylphenanthrene (n-StPh, with n = 1, 2, 3, 4, 9) have been studied in inert solvents. The kinetic parameters of the competitive radiative and reactive decay processes have been obtained. A detailed analysis of the fluorimetric behavior as a function of the excitation wavelength and temperature has allowed the distinct decay parameters and the ground-state energy difference of the two rotamers of trans-3-StPh to be obtained. Parallel theoretical calculations of the potential energy curves for the internal rotation of the phenanthryl group in the ground state, of the energies and oscillator strengths of the lowest transitions, and of the activation energies for trans ..-->.. cis isomerization in the ground and lowest excited singlet states have been carried out with a modified (CS) INDO method. The results of the experimental and theoretical studies are in satisfactory agreement and provide a general description of the photophysical and photochemical behavior of this class of compounds.

• Research Organization: Universita di Perugia, Italy
• OSTI ID: 5916381
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 91:18; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500* -- Photochemistry
ABSORPTION SPECTROSCOPY
ACTIVATION ENERGY
AROMATICS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
CHEMISTRY
CONDENSED AROMATICS
DATA
DE-EXCITATION
EFFICIENCY
EMISSION SPECTROSCOPY
ENERGY
ENERGY LEVELS
ENERGY TRANSFER
ENERGY-LEVEL TRANSITIONS
EQUILIBRIUM
EXCITED STATES
EXPERIMENTAL DATA
FLUORESCENCE SPECTROSCOPY
GROUND STATES
HYDROCARBONS
INFORMATION
ISOMERIZATION
ISOMERS
KINETICS
NUMERICAL DATA
ORGANIC COMPOUNDS
PHENANTHRENE
PHOTOCHEMISTRY
PHYSICAL PROPERTIES
QUANTUM EFFICIENCY
RADIATIONLESS DECAY
REACTION KINETICS
SOLVENTS
SPECTROSCOPY
TEMPERATURE DEPENDENCE