Correlation of the electronic spectra and ground-state pKA values and excited-state pKA values of 5-substituted 3-nitroanilines with substitutent constants

1967 ◽  
Vol 32 (6) ◽  
pp. 1935-1938 ◽  
Author(s):  
John P. Idoux ◽  
C. Kinney Hancock
Keyword(s):  
Excited State ◽  
Ground State ◽  
Electronic Spectra ◽  
Pka Values

Site-dependent effects of methylation on the electronic spectra of jet-cooled methylated xanthine compounds

2017 ◽  
Vol 19 (33) ◽  
pp. 22375-22384 ◽  
Author(s):  
Doory Kim ◽  
Key Young Yang ◽  
Hyung Min Kim ◽  
Tae-Rae Kim ◽  
Nam Joon Kim ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Electronic Spectra ◽  
Methyl Group ◽  
Torsional Barrier

The torsional barrier of methylated xanthine compounds is affected by a methyl-adjacent carbonyl or methyl group in the ground state, whereas it is governed in the excited state by the hyperconjugation interaction in the LUMO.

Spectroscopic studies on toluene and some deuterated derivatives. II. Electronic spectra

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1225-1235 ◽  
Author(s):  
Walter J. Balfour ◽  
Ram S. Ram
Keyword(s):  
Excited State ◽  
High Resolution ◽  
Ground State ◽  
Electronic Spectra ◽  
Spectroscopic Studies ◽  
Measured Data ◽  
Sequence Structure ◽  
State Information ◽  
Isotopic Species ◽  
Out Of Plane

The 266.7 nm absorption systems of toluene and seven deuterated isomers were observed at high resolution and analyses of their vibronic structure performed. All in-plane vibrations with ground-state frequencies less than 1000 cm−1 were identified from 0–1 hot bands. The frequencies agree well with data obtained from infrared and Raman studies. The corresponding vibrations were identified in the excited state. Information was also obtained on out-of-plane vibrations with ground-state frequencies less than 650 cm−1, since all of these are found to give sequence structure. A comparison of the measured data for the various isotopic species has enabled a consistent description of the excited state in toluene to be made. Problems associated with errors, ambiguities, and inconsistencies in previously published work have been addressed.

Renilla Bioluminescence: A Morphologic Approach to the Location of Photocytes

1974 ◽  
Vol 32 ◽  
pp. 208-209
Author(s):  
Ben O. Spurlock ◽  
Milton J. Cormier
Keyword(s):  
Excited State ◽  
Ground State ◽  
Molecular Basis ◽  
Light Emission ◽  
Chemical Basis ◽  
Electronic Excited State ◽  
Colonial Form ◽  
The Common ◽  
Eighteenth And Nineteenth Centuries ◽  
Catalyzed Oxidation

The phenomenon of bioluminescence has fascinated layman and scientist alike for many centuries. During the eighteenth and nineteenth centuries a number of observations were reported on the physiology of bioluminescence in Renilla, the common sea pansy. More recently biochemists have directed their attention to the molecular basis of luminosity in this colonial form. These studies have centered primarily on defining the chemical basis for bioluminescence and its control. It is now established that bioluminescence in Renilla arises due to the luciferase-catalyzed oxidation of luciferin. This results in the creation of a product (oxyluciferin) in an electronic excited state. The transition of oxyluciferin from its excited state to the ground state leads to light emission.

Ground State and Excited State H-Atom Temperatures in a Microwave Plasma Diamond Deposition Reactor

1996 ◽  
Vol 6 (9) ◽  
pp. 1167-1180 ◽  
Author(s):  
A. Gicquel ◽  
M. Chenevier ◽  
Y. Breton ◽  
M. Petiau ◽  
J. P. Booth ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Microwave Plasma ◽  
Diamond Deposition

Spin-Forbidden Excitation Enables Infrared Photoredox Catalysis

2020 ◽  
Author(s):  
Tomislav Rovis ◽  
Benjamin D. Ravetz ◽  
Nicholas E. S. Tay ◽  
Candice Joe ◽  
Melda Sezen-Edmonds ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Intersystem Crossing ◽  
Photoredox Catalysis ◽  
Infrared Irradiation ◽  
Triplet Excitation ◽  
New Family ◽  
Ir Light

We describe a new family of catalysts that undergo direct ground state singlet to excited state triplet excitation with IR light, leading to photoredox catalysis without the energy waste associated with intersystem crossing. The finding allows a mole scale reaction in batch using infrared irradiation.

Excited-State Dynamics in the RNA Nucleotide Uridine 5’-Monophosphate Investigated by Femtosecond Broadband Transient Absorption Spectroscopy

2019 ◽  
Author(s):  
Matthew M. Brister ◽  
Carlos Crespo-Hernández
Keyword(s):  
Excited State ◽  
Excited States ◽  
Ground State ◽  
Transient Absorption ◽  
Electronic Energy ◽  
Transient Absorption Spectroscopy ◽  
Electronic Relaxation ◽  
Vibrationally Excited ◽  
Excited State Dynamics ◽  
Π State

<p></p><p> Damage to RNA from ultraviolet radiation induce chemical modifications to the nucleobases. Unraveling the excited states involved in these reactions is essential, but investigations aimed at understanding the electronic-energy relaxation pathways of the RNA nucleotide uridine 5’-monophosphate (UMP) have not received enough attention. In this Letter, the excited-state dynamics of UMP is investigated in aqueous solution. Excitation at 267 nm results in a trifurcation event that leads to the simultaneous population of the vibrationally-excited ground state, a longlived <sup>1</sup>n<sub>O</sub>π* state, and a receiver triplet state within 200 fs. The receiver state internally convert to the long-lived <sup>3</sup>ππ* state in an ultrafast time scale. The results elucidate the electronic relaxation pathways and clarify earlier transient absorption experiments performed for uracil derivatives in solution. This mechanistic information is important because long-lived nπ* and ππ* excited states of both singlet and triplet multiplicities are thought to lead to the formation of harmful photoproducts.</p><p></p>

Mechanistic analysis of light-driven overcrowded alkene-based molecular motors by multiscale molecular simulations

2021 ◽  
Vol 23 (14) ◽  
pp. 8525-8540
Author(s):  
Mudong Feng ◽  
Michael K. Gilson
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Molecular Dynamics Simulations ◽  
Ground State ◽  
Molecular Motors ◽  
Motor Performance ◽  
Molecular Simulations ◽  
Mechanistic Analysis ◽  
Dynamics Simulations ◽  
Shed Light

Ground-state and excited-state molecular dynamics simulations shed light on the rotation mechanism of small, light-driven molecular motors and predict motor performance. How fast can they rotate; how much torque and power can they generate?

Ground and excited state electronic spectra of perylenediimide dimers with flexible and rigid geometries in DNA conjugates

2014 ◽  
Vol 5 (3) ◽  
pp. 973-981 ◽  
Author(s):  
Prakash P. Neelakandan ◽  
Tarek A. Zeidan ◽  
Martin McCullagh ◽  
George C. Schatz ◽  
Josh Vura-Weis ◽  
...  
Keyword(s):  
Excited State ◽  
Electronic Spectra ◽  
Dna Conjugates

Ground and excited state spectra of co-facial PDI dimers embedded in DNA constructs depend on the geometry imposed by the construct.

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