Background

Ÿ Faculty, 2010 - present

Gazi University - Ankara,

Department of Chemistry,

Ÿ Postdoctoral Research Associate, 2008 - 2010,

Indiana University - Bloomington

Department of Chemistry

Ÿ Ph.D., 2007

Middle East Technical University - Ankara

Department of Chemistry

Ÿ M.S., 2002

Middle East Technical University - Ankara

Department of Chemistry

Ÿ B.S., 1999

Bilkent University - Ankara

Department of Chemistry

(full undergraduate scholarship)

Ÿ National university entrance examination (ÖSS),

1995 - 8th in ranking

Ÿ High School, 1995; Çankaya MPAL - Ankara

 

 

Yavuz Dede, Ph.D.

 

Assoc. Prof.

of Theoretical/Computational Chemistry

Gazi University
Faculty of Science
Department of Chemistry

L-128
06500 Ankara TURKEY

dede `at` gazi.edu.tr

Tel:  90-312-202-1386
Fax: 90-312-212-2279

 

 

Recent Results

Switching-off the Charge Transfer and Closing the S1 – T1 ISC Channel in Excited States of Quinolizinium Derivatives: A Theoretical Study

Soydan Yalcin, Laura Thomas, Maoqun Tian, Nurgul Seferoglu, Heiko Ihmels, and

Yavuz Dede

J. Org. Chem. 2014, 79, 3799-3808.

Journal cover 

On Luminescence of BODIPY and Dipyrrin: An MCSCF Comparison of Excited States

 

Muhammed Büyüktemiz, Selin Duman, and Yavuz Dede

J. Phys. Chem. A. 2013, 117, 1665 - 1669.

Cover image

Featured Article

Heavy Atom Free Singlet Oxygen Generation – Doubly Substituted Configurations Dominate S1 States of bis-BODIPYs

 

Selin Duman, Yusuf Cakmak, Safacan Kolemen, Engin Umut Akkaya, and Yavuz Dede

J. Org. Chem. 2012, 77, 4516-4527.

Designing Excited States: Theory Guided Access to Efficient Photosensitizers for Photodynamic Action

 

Yusuf Cakmak, Safacan Kolemen, Selin Duman, Yavuz Dede, Yusuf Dolen, Bilal Kilic, Ziya Kostereli, Leyla Tatar Yildirim, A. Lale Dogan, Dicle Guc, and Engin U. Akkaya

Angew. Chem. Int. Ed. 2011, 50, 11937-11941.

Graphical abstract: Front cover

Intermolecular Acetaldehyde and Dimethoxymethane Formation Mechanisms via Ethenol and Methoxymethylene Precursors in Reactions of Atomic Carbon with Methanol; A Computational Study

 

Yavuz Dede and Ilker Ozkan

Phys. Chem. Chem. Phys. 2012, 14, 2326-2332.

Graphical abstract: Intermolecular acetaldehyde and dimethoxymethane formation mechanisms via ethenol and methoxymethylene precursors in reactions of atomic carbon with methanol: a computational study

A Redox Non-Innocent Ligand Controls the Life Time of a Reactive Quartet Excited State - An MCSCF Study of [Ni(H)(OH)]+

 

Yavuz Dede, Xinhao Zhang, Maria Schlangen, Helmut Schwarz, Mu-Hyun Baik,

J. Am. Chem. Soc. 2009, 131, 12634-12642.

Research Interests

Excited states of organic chromophores

Transition metal catalyzed small molecule activation reactions

Photochemical reactions

Bioinorganic reaction mechanisms

Nonadiabatic reactions

Spin crossover

Near degeneracies

 

 

 

Applications of multi-reference ab initio methods

(CASSCF, MCQDPT2, MRMP, CASPT2)