Zobrazeno 1 - 10 of 28 pro vyhledávání: '"Boriana Hadjieva"'
2
Mini-Review on Structure-Reactivity Relationship for Aromatic Molecules: Recent Advances
Autor: Boris Galabov, Sonia Ilieva, Diana Cheshmedzhieva, Valya Nikolova, Vassil A. Popov, Boriana Hadjieva, Henry F. Schaefer
Publikováno v: ACS omega. 7(10)
Recent advances in quantifying nucleophilic reactivities in chemical reactions and intermolecular interactions of aromatic molecules are reviewed. This survey covers experimental (IR frequency shifts induced by hydrogen bonding) and theoretical (mode
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bec648f7ec02354fd2c56a1dd5766216
https://pubmed.ncbi.nlm.nih.gov/35309413
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5
π-Hydrogen Bonding Probes the Reactivity of Aromatic Compounds: Nitration of Substituted Benzenes
Autor: Boriana Hadjieva, Gergana Koleva, Henry F. Schaefer, Boris Galabov
Publikováno v: The journal of physical chemistry. A. 123(5)
The shifts of phenol O–H stretching vibration frequencies [Δν(OH)exp] upon π-hydrogen bonding with aromatic compounds is proposed as a spectroscopic probe of the reactivity of aromatic substrates toward electrophiles. A single infrared spectrum
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cae530f0caa8fd3fc1bf441d62794c3
https://pubmed.ncbi.nlm.nih.gov/30624929
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8
Arenium ions are not obligatory intermediates in electrophilic aromatic substitution
Autor: Boriana Hadjieva, Boris Galabov, Henry F. Schaefer, Svetlana Simova, Paul von Ragué Schleyer, Gergana Koleva
Publikováno v: Proceedings of the National Academy of Sciences. 111:10067-10072
Significance Electrophilic substitution is universally regarded as the characteristic reaction of aromatic compounds. Arenium ions are widely accepted as obligatory intermediates in the two-stage (S E Ar) mechanism typically described in textbooks, m
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6e046dc1cdbe0d721601983ac255e5a
https://doi.org/10.1073/pnas.1405065111
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9
Rationalizing IR intensities in terms of electronic parameters
Autor: Valia Dimitrova, Sonia Ilieva, Boriana Hadjieva, Diana Cheshmedzhieva
Publikováno v: Journal of Molecular Structure. 1009:69-73
The electronic effect of polar substituents on the CO stretching band intensity in a series of thirteen p -substituted acetanilides is studied by applying ab initio MP2 computations and density functional theory at the B3LYP and M06-2X level combined
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2a6debbafb3fc880a1ccf7fc134d17ac
https://doi.org/10.1016/j.molstruc.2011.09.049
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10
Reactivity of phenyl N -phenylcarbamates in the alkaline hydrolysis reaction
Autor: Boris Galabov, Didi Nalbantova, Sonia Ilieva, Boriana Hadjieva, Diana Cheshmedzhieva
Publikováno v: Journal of Physical Organic Chemistry. 24:1166-1171
In the present study, we explore the application of several theoretically estimated indices that characterize the reactivity of a series of phenyl N-phenylcarbamates in the alkaline hydrolysis reaction. The rate constants (at 25 °C) for the hydrolys
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4fd9a45cd382a1c3b9a51e9abd45ee51
https://doi.org/10.1002/poc.1841
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