Login
 Forum
 
 
Thesis topic proposal
 
Zsolt Kelemen
Computational investigation of carborane based compounds

THESIS TOPIC PROPOSAL

Institute: Budapest University of Technology and Economics
chemistry
George A. Olah Doctoral School of Chemistry and Chemical Technology

Thesis supervisor: Zsolt Kelemen
Location of studies (in Hungarian): BME SZAKT
Abbreviation of location of studies: BME


Description of the research topic:

The three dimensional carborane clusters exhibit exceptional thermal and chemical stability, tailorability, ambiphilic character, organomimic properties, and unusually low toxicity, which provide performance superior to that of conventional materials. Several publications appear about the unique reactivity, stability and possible application of these compounds, but there are only limited number of computational study. Recent PhD topic aims to investigate computationally different carborane based systems. During the PhD project a systematic theoretical investigation (DFT calculations) should be carried out on carborane containing systems (substituted boranes, carboranes, and their metal complexes) in order to get deeper insight into their stability, reactivity and different properties (photo, electronic etc.), which make these compounds suitable for different applications.

Number of students who can be accepted: 1

Deadline for application: 2020-12-10


2024. IV. 17.
ODT ülés
Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).

 
All rights reserved © 2007, Hungarian Doctoral Council. Doctoral Council registration number at commissioner for data protection: 02003/0001. Program version: 2.2358 ( 2017. X. 31. )