FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1964773470> ?p ?o ?g. }

• W1964773470 endingPage "115" @default.
• W1964773470 startingPage "101" @default.
• W1964773470 abstract "IR spectra of the free molecules of 2-aminothiazole and 2-aminobenzothiazole and their H-bonded complexes of 1:1 composition with acetonitrile, dioxane, tetrahydrofourane, dimethylformamide, dimethylsulfoxide and hexamethyl-phosphoramide in CCl 4 were studied in the range of stretching and deformational vibrations of the amino group. The complexes of 1:2 compositions were studied in undiluted aprotic solvents. The absorption band spectral characteristics of monomers and complexes were determined: M (0) —zero spectral moment (integrated band intensity B), M (1) —first spectral moment (band gravity center) and effective half-width (Δ ν 1/2 ) eff which is related to the second central moment M (2) : (Δ ν 1/2 ) eff =2( M (2) ) 1/2 . The temperature influence on the absorption band spectral characteristics of the amino group stretching vibrations for monomers and 1:1 complexes were studied in the interval 283–323 K. It was shown that within the range mentioned above, spectral characteristics have practically linear dependence on temperature. Parameters of the linear regression equation Y = aT + b ( Y = B , M (1) , 2( M (2) ) 1/2 ) were determined. It was stated that the temperature sensitivity a = ∂ Y/ ∂ T of spectral characteristics for 1:1 complexes of 2-aminothiazoles with proton acceptors is approximately 10 times higher than for monomers. The monomer-complex equilibrium constants K ( T ) (1:1) were calculated and the thermodynamical characteristics –Δ H and Δ S were determined, based on Vant-Hoff equation. For free (R–NH 2 , R–NHD, R–ND 2 ) and H-bonded (1:1 and 1:2, with various proton acceptors) molecules of 2-aminothiazoles, the vibrational and electro optic problems were solved in the approximation of the six-coordinate valence force field model. The valence angles γ (HNH), force constants K (NH), electro optic parameters ∂ μ / ∂ q (derivative of the dipole moment by the length of NH-bond) and ∂ μ / ∂ q ′ (derivative of the dipole moment by the length of the neighboring NH-bond) were determined. The correlations were stated between spectral, geometrical, force and electro optic parameters of free and bonded molecules. In the approximation of DFT-B3LYP/6-31G** and ab initio MP2/6-31G**, the atom charge distribution (according to Mulliken), geometrical and force characteristics and dipole moments μ 0 of 2-aminothiazoles were calculated. The quantum mechanical calculations, valence force field calculations and the experimental results were shown to be in good agreement." @default.
• W1964773470 created "2016-06-24" @default.
• W1964773470 creator A5003835200 @default.
• W1964773470 creator A5020156037 @default.
• W1964773470 creator A5074574674 @default.
• W1964773470 creator A5088719041 @default.
• W1964773470 date "2006-02-01" @default.
• W1964773470 modified "2023-10-14" @default.
• W1964773470 title "Hydrogen bonds of 2-aminothiazoles in intermolecular complexes (1:1 and 1:2) with proton acceptors in solutions" @default.
• W1964773470 cites W1971909355 @default.
• W1964773470 cites W1973618072 @default.
• W1964773470 cites W1996054321 @default.
• W1964773470 cites W1997335751 @default.
• W1964773470 cites W2003818744 @default.
• W1964773470 cites W2007831125 @default.
• W1964773470 cites W2015076146 @default.
• W1964773470 cites W2017774681 @default.
• W1964773470 cites W2019326507 @default.
• W1964773470 cites W2021534770 @default.
• W1964773470 cites W2026446140 @default.
• W1964773470 cites W2033662657 @default.
• W1964773470 cites W2040067438 @default.
• W1964773470 cites W2061507267 @default.
• W1964773470 cites W2071475035 @default.
• W1964773470 cites W2073525768 @default.
• W1964773470 cites W2088187780 @default.
• W1964773470 cites W2106837202 @default.
• W1964773470 cites W2140904467 @default.
• W1964773470 cites W2140978757 @default.
• W1964773470 cites W2154613522 @default.
• W1964773470 doi "https://doi.org/10.1016/j.molstruc.2005.08.006" @default.
• W1964773470 hasPublicationYear "2006" @default.
• W1964773470 type Work @default.
• W1964773470 sameAs 1964773470 @default.
• W1964773470 citedByCount "33" @default.
• W1964773470 countsByYear W19647734702012 @default.
• W1964773470 countsByYear W19647734702013 @default.
• W1964773470 countsByYear W19647734702014 @default.
• W1964773470 countsByYear W19647734702015 @default.
• W1964773470 countsByYear W19647734702016 @default.
• W1964773470 countsByYear W19647734702017 @default.
• W1964773470 countsByYear W19647734702018 @default.
• W1964773470 countsByYear W19647734702020 @default.
• W1964773470 countsByYear W19647734702021 @default.
• W1964773470 countsByYear W19647734702022 @default.
• W1964773470 crossrefType "journal-article" @default.
• W1964773470 hasAuthorship W1964773470A5003835200 @default.
• W1964773470 hasAuthorship W1964773470A5020156037 @default.
• W1964773470 hasAuthorship W1964773470A5074574674 @default.
• W1964773470 hasAuthorship W1964773470A5088719041 @default.
• W1964773470 hasConcept C112887158 @default.
• W1964773470 hasConcept C113196181 @default.
• W1964773470 hasConcept C120665830 @default.
• W1964773470 hasConcept C121332964 @default.
• W1964773470 hasConcept C125287762 @default.
• W1964773470 hasConcept C1276947 @default.
• W1964773470 hasConcept C147789679 @default.
• W1964773470 hasConcept C166940927 @default.
• W1964773470 hasConcept C166950319 @default.
• W1964773470 hasConcept C178790620 @default.
• W1964773470 hasConcept C185592680 @default.
• W1964773470 hasConcept C191274033 @default.
• W1964773470 hasConcept C24890656 @default.
• W1964773470 hasConcept C2777463227 @default.
• W1964773470 hasConcept C32909587 @default.
• W1964773470 hasConcept C4839761 @default.
• W1964773470 hasConcept C521977710 @default.
• W1964773470 hasConcept C54516573 @default.
• W1964773470 hasConcept C62520636 @default.
• W1964773470 hasConcept C8010536 @default.
• W1964773470 hasConceptScore W1964773470C112887158 @default.
• W1964773470 hasConceptScore W1964773470C113196181 @default.
• W1964773470 hasConceptScore W1964773470C120665830 @default.
• W1964773470 hasConceptScore W1964773470C121332964 @default.
• W1964773470 hasConceptScore W1964773470C125287762 @default.
• W1964773470 hasConceptScore W1964773470C1276947 @default.
• W1964773470 hasConceptScore W1964773470C147789679 @default.
• W1964773470 hasConceptScore W1964773470C166940927 @default.
• W1964773470 hasConceptScore W1964773470C166950319 @default.
• W1964773470 hasConceptScore W1964773470C178790620 @default.
• W1964773470 hasConceptScore W1964773470C185592680 @default.
• W1964773470 hasConceptScore W1964773470C191274033 @default.
• W1964773470 hasConceptScore W1964773470C24890656 @default.
• W1964773470 hasConceptScore W1964773470C2777463227 @default.
• W1964773470 hasConceptScore W1964773470C32909587 @default.
• W1964773470 hasConceptScore W1964773470C4839761 @default.
• W1964773470 hasConceptScore W1964773470C521977710 @default.
• W1964773470 hasConceptScore W1964773470C54516573 @default.
• W1964773470 hasConceptScore W1964773470C62520636 @default.
• W1964773470 hasConceptScore W1964773470C8010536 @default.
• W1964773470 hasIssue "1-3" @default.
• W1964773470 hasLocation W19647734701 @default.
• W1964773470 hasOpenAccess W1964773470 @default.
• W1964773470 hasPrimaryLocation W19647734701 @default.
• W1964773470 hasRelatedWork W1991883810 @default.
• W1964773470 hasRelatedWork W2006252551 @default.
• W1964773470 hasRelatedWork W2008707224 @default.
• W1964773470 hasRelatedWork W2012889060 @default.

• next