Search results for "Molecule"
showing 10 items of 5162 documents
Bonandiol: A new, irregular, monocyclic diterpene from (L.) Halacsy (umbelliferae)
1984
A new, irregular, monocyclic diterpene, bonandiol (1), has been isolated from Bonannia graeca. The structure of bonandiol has been deduced from spectral data and chemical evidence.
Theoretical Studies of the Electronic Spectra of Organic Molecules
1995
The complete active space (CAS) SCF method in conjunction with multiconfigurational second-order perturbation theory (CASPT2) has been used to study the electronic spectra of a large number of molecules. The wave functions and the transition properties are computed at the CASSCF level, while dynamic correlation contributions to the excitation energies are obtained through the perturbation treatment. The methods yield energies, which are accurate to at least 0.2 eV, except in a few cases, where the CASSCF reference function does not characterize the electronic state with sufficient accuracy. The applications comprise: the polyenes from ethene to octatetraene (cis- and trans-forms); a number …
Die stufenweise Syntheseo,o?-methylenverbr�ckter Cyclohexamerer mitp-Kresol- oderP-Kresol- und 4-tert-Butylphenol-Bausteinen Vergleich mit �hnlich st…
1981
Two phenolic alcohols with six phenolic units in their molecules have been obtained by stepwise syntheses starting from simple phenolic derivatives. The phenolic alcohols were cyclized in a one step cyclization by boiling in a very diluted acetic acid solution. A two step cyclization of a phenolic alcohol with three phenolic units to a cyclohexamer proceeds only with poor yields. The cyclic compounds were compared with chainlike oligomers containing six phenolic units in their molecules.
Hydrodynamic chromatography of macromolecules on 2 μm non-porous spherical silica gel packings
1989
Non-porous spherical 2μm silica gel particles have been tested as packing for hydrodynamic chromatography of macromolecules (HDC). Columns packed with these particles in 250×4.6mm i.d. columns can be operated very efficiently (e.g. a reduced plate height of about 2) when the detection cell is miniaturized. The packing is suitable for the separation of polystyrenes of Mw of 104–107 by hydrodynamic chromatography and the retention behaviour of polystyrenes agrees well with the known theoretical models. Preliminary results on the applicability of HDC for the separation of biopolymers are presented.
Fluoride Ion Receptors: A Comparison of a Polyammonium Monocycle Versus its Bicyclic Corollary
2001
Two polyammonium macrocyclic receptors, the monocyclic 3,6,9,17,20,23-hexaazatricyclo [23.3.1.111,15]triaconta-1(29), 11,13,15(30),25,27-hexaene (L1) and its bicyclic analog 1,4,12,15,18,26,31,39-o...
Cation-induced self-assembly of an amphiphilic perylene diimide derivative in solution and Langmuir–Blodgett films
2015
Abstract A novel amphiphilic perylenetetracarboxylic diimide (PDI) derivative, N-(4′-benzo-15-crown-5-ether)-N-hexyl-1,7-di(4-tert-butyl-phenoxy)perylen-3,4,9,10-tetracarboxylic diimide (15C5PDI), has been synthesized and characterized. Dimerization of 15C5PDI is induced in CHCl 3 solution with the present of K + , resulting in the formation of the slipped co-facial J -aggregates, as revealed by absorption and fluorescence spectroscopies. Analysis of the surface pressure–area ( π – A ) isotherms and spectral change for the monolayer formed at the air/water interface, disclosed that 15C5PDI molecules adopted the H -type aggregation mode with a face-to-face configuration and edge-on orientati…
A Nonanuclear Iron(II) Single-Molecule Magnet
2004
A macrocyclic diurea derived from diphenylether
2010
Abstract A new 16-membered cyclic diurea was synthesized and tested as potential receptor for fluoride. 1 H and 19 F NMR spectroscopy revealed an unexpected deprotonation of both urea groups after initial 1:1 binding. A single crystal X-ray structure shows bifurcated hydrogen bonds to two DMSO molecules.
(1Z,3Z)-1,4-Di(pyridin-2-yl)buta-1,3-diene-2,3-diol: The Planar Highly Conjugated Symmetrical Enediol with Multiple Intramolecular Hydrogen Bonds
2002
1H, (13)C, and (15)N NMR spectral data show that in chloroform solution (1Z,3Z)-1,4-di(pyridin-2-yl)buta-1,3-diene-2,3-diol, OO, is in ca. 9:1 equilibrium with (3Z)-3-hydroxy-1,4-di(pyridin-2-yl)but-3-en-2-one, OK, while no 1,4-di(pyridin-2-yl)-2,3-butanedione, KK, was detected. The species present in the tautomeric mixture were identified by comparing their experimental chemical shifts with those known for similar compounds as well as with the theoretically calculated (GIAO-HF/DFT) values. Ab initio calculations show that OK and especially the highly conjugated OO forms are preferred in the tautomeric mixtures both in vacuo and in chloroform solution. Comparison of experimental (Arrhenius)…