AbinitioSCF MO calculations of the potential surfaces of thiocarbonyls. III. Ground state and first excited triplet state of thiourea, (NH2)2CS

1979 ◽  
Vol 71 (2) ◽  
pp. 588-592 ◽  
Author(s):  
A. Kapur ◽  
R. P. Steer ◽  
P. G. Mezey
Keyword(s):  
Triplet State ◽  
Ground State ◽  
Excited Triplet State ◽  
Mo Calculations ◽  
Potential Surfaces ◽  
Excited Triplet

A New Electronic Emission System of GeF2

1973 ◽  
Vol 51 (7) ◽  
pp. 727-730 ◽  
Author(s):  
R. W. Martin ◽  
A. J. Merer
Keyword(s):  
Absorption Spectrum ◽  
Triplet State ◽  
Ground State ◽  
Bond Angle ◽  
Excited Triplet State ◽  
Lower State ◽  
Excited Triplet ◽  
Isotopic Evidence ◽  
Emission System ◽  
New System

A new system of weak emission bands in the region 3250–3700 Å is attributed to a transition from an excited triplet state of GeF2 to the ground state; the upper state bond angle is about 112°, and the bending frequency is 191 cm−1. The assignment of the carrier is based on isotopic evidence and the agreement of the lower state bending frequency with that found from the absorption spectrum of GeF2 by Hauge, Khanna, and Margrave.

Kinetic model for the molecular system of Zinc(II)-2,9,16,23-phthalocyanine tetracarboxylate

2015 ◽  
Vol 24 (01) ◽  
pp. 1550005 ◽  
Author(s):  
Saleh Al-Omari
Keyword(s):  
Kinetic Model ◽  
Triplet State ◽  
Kinetic Parameters ◽  
Ground State ◽  
Singlet State ◽  
Excited Singlet State ◽  
Excited Triplet State ◽  
Initial Population ◽  
Excited Singlet ◽  
Excited Triplet

Using vis absorption, fluorescence spectral experimental data, and time-resolved measurement, we have examined the kinetics of Zinc(II)-2,9,16,23-phthalocyanine tetracarboxylate ( ZnPc ( COONa )4), which is interesting photosensitizer of far red-absorption in water: NaOH solution. The kinetic parameters were measured and/or calculated. The photophysical properties originate principally from the planar macrocycle while the outer substituent and degree of carboxylation seem not to have a considerable influence on the kinetic parameters. The nonradiative rate constants of the first excited state were dominant due to the heavy metal effect. Using the obtained photophysical parameters, the population dynamics were calculated by kinetic model. On nanosecond scale of 15 ns, about 63% population of the first excited-singlet state is retrieved by the ground state. Whereas, the rest of population are deactivated to the first excited-triplet state. Later on, during about 7 μs starting from the initial decay of the first excited singlet state, the first excited singlet state and the first excited triplet state were completely empty, meanwhile the ground state retrieved its initial population. Due to the fact that ZnPc ( COONa )4 has strong absorption, long lifetimes of the first singlet and triplet excited states, and fast intersystem crossing, it may be suitable for nonlinear optical studies.

Protonated Ground-State Singlet meta-Pyridynes React from an Excited Triplet State

2021 ◽  
Vol 86 (4) ◽  
pp. 3249-3260
Author(s):  
Xin Ma ◽  
Erlu Feng ◽  
Hanning Jiang ◽  
Victoria M. Boulos ◽  
Jinshan Gao ◽  
...  
Keyword(s):  
Triplet State ◽  
Ground State ◽  
Excited Triplet State ◽  
Excited Triplet

Aromaticity Reversal in the Lowest Excited Triplet State of Archetypical Möbius Heteroannulenic Systems

2016 ◽  
Vol 128 (22) ◽  
pp. 6597-6601 ◽  
Author(s):  
Juwon Oh ◽  
Young Mo Sung ◽  
Woojae Kim ◽  
Shigeki Mori ◽  
Atsuhiro Osuka ◽  
...  
Keyword(s):  
Triplet State ◽  
Excited Triplet State ◽  
Excited Triplet
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