Erratum to “Intersecting-state model calculations on fast and ultrafast excited-state proton transfers in naphthols and substituted naphthols” [J. Photochem. Photobiol. A: Chem. 154 (2002) 13]

2003 ◽  
Vol 160 (3) ◽  
pp. 227 ◽  
Author(s):  
Monica Barroso ◽  
Luis G. Arnaut ◽  
Sebastião J. Formosinho
Keyword(s):  
Excited State ◽  
State Model ◽  
Model Calculations ◽  
Proton Transfers

Synthesis and Spectroscopic Properties of Some Compounds Related to Benzenamine-4-(9-anthryl)-N,N-dimethyl [ADMA]

1987 ◽  
Vol 42 (4) ◽  
pp. 395-405 ◽  
Author(s):  
N. Detzer ◽  
W. Baumann ◽  
B. Schwager ◽  
J.-C. Fröhling ◽  
C. Brittinger
Keyword(s):  
Dipole Moment ◽  
Excited State ◽  
Electric Field ◽  
Ir Spectra ◽  
Spectroscopic Properties ◽  
State Model ◽  
Polar State ◽  
Two State Model ◽  
Excited State Dipole Moment ◽  
Good Agreement

The synthesis of several compounds related to ADMA are described in detail. These compounds are characterized by their mass, NMR, and IR-spectra. In addition, the solvent dependent shift of the fluorescence as well as the effect of an electric field on the fluorescence have been measured. The results are in agreement with a two-state model assuming the simultaneous fluorescence from a weakly polar and a highly polar state with dipole moment μ. μ2/a3 (a is Onsager’s radius) has been determined from both effects. The results are in good agreement with an excited state dipole moment of about 60 • 10-30Cm, in the polar state.

Application of the excited state model to chalcogenide glasses

2006 ◽  
Vol 32 (4) ◽  
pp. 399-403 ◽  
Author(s):  
T. D. Mel’nichenko ◽  
V. M. Rizak ◽  
V. I. Fedelesh ◽  
T. N. Mel’nichenko ◽  
D. S. Sanditov ◽  
...  
Keyword(s):  
Excited State ◽  
Chalcogenide Glasses ◽  
State Model

Excited-State Proton Transfer: Molecules in a Hurry to Get Rid of Antiaromaticity

2019 ◽  
Author(s):  
Chia-Hua Wu ◽  
Lucas Karas ◽  
Henrik Ottosson ◽  
Judy Wu
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Chemical Shifts ◽  
Proton Relay ◽  
Proton Transfers ◽  
Bifunctional Compounds ◽  
Excited State Proton Transfer ◽  
Derivatives Of ◽  
Related Compounds

<p>Baird’s rule explains why and when excited-state proton transfer (ESPT) reactions happen in organic compounds. Bifunctional compounds that are [4<i>n</i>+2] π-aromatic in the ground state, become [4<i>n</i>+2] π-antiaromatic in the first <sup>1</sup>ππ* states, and proton transfer (either<i>inter-</i>or <i>intra-</i>molecularly) helps relieve excited-state antiaromaticity. Computed nucleus independent chemical shifts (NICS) for several ESPT examples (including excited-state intramolecular proton transfers (ESIPT), biprotonic transfers, dynamic catalyzed transfers, and proton relay transfers) document the important role of excited-state antiaromaticity. <i>o-</i>Salicylic acid undergoes ESPT only in the “antiaromatic” S<sub>1</sub>(<sup>1</sup>ππ*) state, but not in the “aromatic” S<sub>2</sub>(<sup>1</sup>ππ*) state. Stokes’ shifts of structurally-related compounds (<i>e.g.</i>, derivatives of 2-(2-hydroxyphenyl)benzoxazole and hydrogen-bonded complexes of 2-aminopyridine with pro tic substrates) vary depending on the antiaromaticity of the photoinduced tautomers. Remarkably, Baird’s rule predicts the effect of light on hydrogen bond strengths; hydrogen bonds that enhance (and reduce) excited-state antiaromaticity in compounds become weakened (and strengthened) upon photoexcitation.</p>

A two excited state model to explain the peculiar photobehaviour of a flexible quadrupolar D–π–D anthracene derivative

2016 ◽  
Vol 18 (33) ◽  
pp. 23389-23399 ◽  
Author(s):  
B. Carlotti ◽  
A. Cesaretti ◽  
P. L. Gentili ◽  
A. Marrocchi ◽  
F. Elisei ◽  
...  
Keyword(s):  
Excited State ◽  
State Model ◽  
Anthracene Derivative

The excited state deactivation of the investigated compound involves two distinct fluorescent states. 1A* → 1B* transition is accompanied by structural motions, with the 1B* state exhibiting a certain ICT character.

scholarly journals Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA

2018 ◽  
Vol 9 (41) ◽  
pp. 7902-7911 ◽  
Author(s):  
Antonio Francés-Monerris ◽  
Hugo Gattuso ◽  
Daniel Roca-Sanjuán ◽  
Iñaki Tuñón ◽  
Marco Marazzi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Molecular Dynamics Simulations ◽  
Hydrogen Transfer ◽  
Proton Transfers ◽  
Out Of Plane ◽  
Dynamics Simulations

Multiscale molecular dynamics simulations reveal out-of-plane distortions that favour DNA photostability. A novel photostability mechanism involving four proton transfers and triggered by a nearby Na+ ion is also unveiled.

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