Zobrazeno 1 - 10
of 59
pro vyhledávání: '"Marija Baranac‐Stojanović"'
Publikováno v:
Chemistry, Vol 3, Iss 3, Pp 765-782 (2021)
It is well known that singlet state aromaticity is quite insensitive to substituent effects, in the case of monosubstitution. In this work, we use density functional theory (DFT) calculations to examine the sensitivity of triplet state aromaticity to
Externí odkaz:
https://doaj.org/article/c3e65303fa2b4233afcbeaad77d345ff
Autor:
ZDRAVKO DŽAMBASKI, MILOVAN STOJANOVIĆ, MARIJA BARANAC-STOJANOVIĆ, DRAGICA M. MINIĆ, RADE MARKOVIĆ
Publikováno v:
Journal of the Serbian Chemical Society, Vol 76, Iss 3, Pp 317-328 (2011)
Configurational isomerization of stereo-defined 5-substituted and unsubstituted 2-alkylidene-4-oxothiazolidines (1) in the solid state, giving the Z/E mixtures in various ratios, was investigated by 1H-NMR spectroscopy, X-ray powder crystallography a
Externí odkaz:
https://doaj.org/article/2c94b11862684522997cbfcd45dfa724
Publikováno v:
Journal of Physical Organic Chemistry
Aromaticity rules in the ground singlet state and the first excited triplet state are exactly opposite, as shown by Baird. Thus, (4n + 2)π electron annulenes are antiaromatic and 4nπ annulenes are aromatic in their triplet state. In this work, we e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ba7f75efc971ce69ec9fea61908773d
http://cherry.chem.bg.ac.rs/handle/123456789/5626
http://cherry.chem.bg.ac.rs/handle/123456789/5626
Publikováno v:
Organic & Biomolecular Chemistry
Organic & biomolecular chemistry
Organic & biomolecular chemistry
We present the green, highly atom-economical, solid-state silica gel-catalyzed synthesis of polysubstituted 1,4- and 1,2-dihydropyridines (DHPs) from commercially available materials, amines and ethyl propiolate. The DHP skeleton was assembled by hea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06ec9390eb27f7c1b9bc7fab25970dae
https://cer.ihtm.bg.ac.rs/handle/123456789/5681
https://cer.ihtm.bg.ac.rs/handle/123456789/5681
Publikováno v:
New Journal of Chemistry
Aromaticity–antiaromaticity switch upon singlet–triplet transition of some biologically and synthetically important monoheterocycles (heteroatom = N, O, Si, P, and S) derived from benzene, naphthalene and anthracene was studied by employing energ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca628b41734a3d7b86cfabc83c991a00
https://doi.org/10.1039/d1nj00207d
https://doi.org/10.1039/d1nj00207d
Publikováno v:
The Journal of Organic Chemistry
2,3-Dihydro-4-pyridone skeleton is an important building block in organic synthesis because it features several reaction sites with nucleophilic or electrophilic properties. Herein, we disclose a method for its formation by intramolecular cyclization
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa895cfc1f17c082b494ae650744bbe5
https://doi.org/10.1021/acs.joc.0c01537
https://doi.org/10.1021/acs.joc.0c01537
Publikováno v:
Chemistry-An Asian Journal
Chemistry. An Asian Journal
Chemistry. An Asian Journal
By employing density functional theory (DFT) calculations we show that mono- and disilicon substitution in polycyclic aromatic hydrocarbons, having two to four benzene units, quenches their triplet state antiaromaticity by creating Hückel aromatic (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fa21165d085702b40bf602f0931af34
https://cer.ihtm.bg.ac.rs/handle/123456789/5408
https://cer.ihtm.bg.ac.rs/handle/123456789/5408
Publikováno v:
Physical Chemistry Chemical Physics
The effect of two types of dibenzo-fusion of pentalene in the singlet and triplet states on its molecular energies and magnetically induced ring currents was examined via density functional calculations. The isomerization energy decomposition analysi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76d1cff86c17691d93d58f41479402f5
https://doi.org/10.1039/c8cp07875k
https://doi.org/10.1039/c8cp07875k
Publikováno v:
Physical Chemistry Chemical Physics
This work was initiated by the increasing interest in BN/CC isosterism and by the long-lasting interest in the concepts of aromaticity and substituent effects. We have theoretically examined the aromaticity and stability of monosubstituted BN isoster
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74189df6626b1fdb55f225ba4ef9d9c7
https://doi.org/10.1039/c9cp01011d
https://doi.org/10.1039/c9cp01011d
Autor:
Marija Baranac-Stojanović
Publikováno v:
The Journal of Organic Chemistry
Density functional theory calculations have been performed to explore the substituent effect on benzene's structure and aromaticity upon excitation to the first triplet excited state (T1). Discussion is based on spin density analysis, HOMA (harmonic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb239b670731c87cf81b055c78078a84
https://cherry.chem.bg.ac.rs/handle/123456789/4027
https://cherry.chem.bg.ac.rs/handle/123456789/4027