840. Absorption and emission spectra of aromatic radicals. Part I. Absorption and emission spectrum of the benzyl radical in the visible region

The density functional theory (DFT) is used to compute the ground-state geometries of naphthoquinone derivatives, and lowest singlet excited-state geometries of them have been investigated by the singles configuration interaction (CIS) method. The absorption and emission spectra are calculated by time-dependent DFT (TDDFT) on the basis of the ground- and excited-state geometries, respectively. Our calculations are in good agreement with the available experimental results. The calculated results show that with the introduction of hydroxyl the red-shift was found in the absorption and emission, and the range of spectra reach the visible region. Furthermore, in the absorptions electron transition type was identified from the point-view of molecular orbitals. Study of the effect of hydroxyl and site on spectra can provide the helpful information on further designing molecular devices.

Download Full-text

841. Absorption and emission spectra of aromatic radicals. Part II. Electronic absorption spectra of radicals obtained on photolysis of dialkylbenzenes

Journal of the Chemical Society (Resumed) ◽

10.1039/jr9620004327 ◽

1962 ◽

pp. 4327

Author(s):

T. F. Bindley ◽

A. T. Watts ◽

S. Walker

Keyword(s):

Absorption Spectra ◽

Electronic Absorption ◽

Electronic Absorption Spectra ◽

Emission Spectra ◽

Absorption And Emission ◽

Absorption And Emission Spectra ◽

Aromatic Radicals

Download Full-text

Absorptions- und Emissionsspektrum von V2+ /V3+ in Beryllen

Zeitschrift für Naturforschung A ◽

10.1515/zna-1974-1011 ◽

1974 ◽

Vol 29 (10) ◽

pp. 1458-1460 ◽

Cited By ~ 1

Author(s):

K. Schmetzer ◽

H. H. Eysel

Keyword(s):

Emission Spectrum ◽

Crystal Field ◽

Emission Spectra ◽

Frequency Range ◽

Absorption And Emission ◽

Absorption And Emission Spectra ◽

Crystal Field Parameters

Abstract Absorption and emission spectra of beryls doped with a mixture of less than 0.1% V2+ and V3+ have been measured. The resulting crystal field parameters are: V2+: Dq= 1500 cm-1 , B = 750 cm-1 , C = 3250 cm-1; V3+: Dq= 1750 cm-1 , B = 580 cm-1 C = 2480 cm-1. Within the frequency range of our spectrometers the V3+ is dominating in absorption while V2+ produces the observed emission spectrum by superposition of the 4T2-4A2 fluorescence and 2E, 2T -4A2 phosphorescence bands. We were not able to observe emission of V3+

Download Full-text

Aromaticity and photophysics of tetrasila- and tetragerma-annelated tetrathienylenes as new representatives of the hetero[8]circulene family

Physical Chemistry Chemical Physics ◽

10.1039/c9cp01608b ◽

2019 ◽

Vol 21 (18) ◽

pp. 9246-9254 ◽

Cited By ~ 11

Author(s):

G. V. Baryshnikov ◽

R. R. Valiev ◽

V. N. Cherepanov ◽

N. N. Karaush-Karmazin ◽

V. A. Minaeva ◽

...

Keyword(s):

Electronic Structure ◽

Emission Spectra ◽

Absorption And Emission ◽

Absorption And Emission Spectra ◽

Photophysical Behavior

The electronic structure, absorption and emission spectra, aromaticity and photophysical behavior of the recently synthesized tetrasilatetrathia[8]circulene and tetragermatetrathia[8]circulene compounds have been studied computationally.

Download Full-text