Switching off the charge transfer and closing the S1-T 1 ISC channel in excited states of quinolizinium derivatives: A theoretical study

Journal of Organic Chemistry

Volumn 79, Issue 9, 2014, Pages 3799-3808

  Yalcin, Soydan ^a   Thomas, Laura ^b   Tian, Maoqun ^b   Seferoglu, Nurgul ^a   Ihmels, Heiko ^b   Dede, Yavuz ^a  

^a GAZI UNIVERSITY   (Turkey)

^b UNIVERSITY OF SIEGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; PROTONATION; QUANTUM CHEMISTRY;

DESIGN PRINCIPLES; ELECTRON ACCEPTOR; EQUILIBRIUM GEOMETRIES; FLUORESCENCE SWITCHING; INTERSYSTEM CROSSING; PROTONATED SPECIES; SINGLY OCCUPIED ORBITALS; THEORETICAL STUDY;

EXCITED STATES;

NITROGEN; QUINOLIZINE DERIVATIVE; QUINOLIZINIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHANNEL GATING; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; EXCITATION; FLUORESCENCE; PH; PROTON TRANSPORT; QUANTUM CHEMISTRY; THEORETICAL STUDY; CHEMISTRY; QUANTUM THEORY;

MOLECULAR STRUCTURE; QUANTUM THEORY; QUINOLIZINES;

EID: 84899884419     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo402756y     Document Type: Article

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