Solvent-Controlled Excited State Behavior:  2-(2‘-Pyridyl)indoles in Alcohols

1996 ◽  
Vol 118 (14) ◽  
pp. 3508-3518 ◽  
Author(s):  
Jerzy Herbich ◽  
Chi-Ying Hung ◽  
Randolph P. Thummel ◽  
Jacek Waluk
Keyword(s):  
Excited State ◽  
State Behavior

Triplet Excited State Behavior of Naphthalene-Based Pseudopeptides in the Presence of Energy Donors

2012 ◽  
Vol 116 (33) ◽  
pp. 9957-9962 ◽  
Author(s):  
Paula Bonancía ◽  
Laura Vigara ◽  
Francisco Galindo ◽  
Santiago V. Luis ◽  
M. Consuelo Jiménez ◽  
...  
Keyword(s):  
Excited State ◽  
Triplet Excited State ◽  
State Behavior

Coordination Mode Dependent Excited State Behavior in Group 8 Phosphino(terthiophene) Complexes

2011 ◽  
Vol 50 (11) ◽  
pp. 5113-5122 ◽  
Author(s):  
Stephanie A. Moore ◽  
Jeffrey K. Nagle ◽  
Michael O. Wolf ◽  
Brian O. Patrick
Keyword(s):  
Excited State ◽  
Coordination Mode ◽  
State Behavior

Excited state behavior of trans-styrylnaphthalenes in the subnanosecond time region

1996 ◽  
Author(s):  
G. G. Aloisi ◽  
F. Elisei ◽  
U. Mazzucato ◽  
L. Latterini ◽  
M. A. J. Rodgers
Keyword(s):  
Excited State ◽  
State Behavior ◽  
Time Region ◽  
Subnanosecond Time

An analogy study on ESIPT reaction for 3BHC sensor between polar DMF and nonpolar toluene

2017 ◽  
Vol 95 (12) ◽  
pp. 1303-1307
Author(s):  
Dapeng Yang ◽  
Min Jia ◽  
Jingyuan Wu ◽  
Xiaoyan Song ◽  
Qiaoli Zhang
Keyword(s):  
Excited State ◽  
Density Functional ◽  
Emission Spectra ◽  
Dft Method ◽  
Intramolecular Proton Transfer ◽  
Nonpolar Solvent ◽  
State Behavior ◽  
Functional Theory ◽  
Td Dft ◽  
Intramolecular Hydrogen

A comparison about excited state intramolecular proton transfer (ESIPT) mechanism of a new sensor 3-(1,3-benzothiazol-2-yl)-2-hydroxynaphthalene-1-carbaldehyde (3BHC) in polar solvent dimethylformamide (DMF) and nonpolar solvent toluene have been investigated within the framework of the time-dependent density functional theory (TD-DFT) method. The reproduced previous experimental absorption and emission spectra via our calculations reveals the reasonability of the DFT and TD-DFT theoretical level. The staple bond lengths, bond angles, and corresponding infrared vibrational spectra demonstrate that the intramolecular hydrogen bond of 3BHC should be strengthened in both polar DMF and nonpolar toluene. Two kinds of ESIPT mechanisms for different solvents have been put forward; there is a low potential barrier in the ESIPT process in the DMF solvent, whereas there is almost a nonbarrier for the ESIPT process in the toluene solvent. Hence, we could conclude that the ESIPT process of 3BHC sensor is more likely to occur in the nonpolar solvent upon the photoexcitation, based on which, the excited state behavior of 3BHC could be controlled.

Sign in / Sign up

Export Citation Format

Share Document