12 Result(s)
within
Helmut Schwarz
Organic Chemistry
-
Article
Obituary for Rudolf Zahradník (1928–2020): “To Do What’s Right”
-
Article
On the usefulness of useless knowledge
Basic research may or may not lead to new technologies. Our safest bet in this gamble is to give our brightest minds the funding and freedom to dream big.
-
Article
Bonding in cationic MOH n + (M = K − La, Hf − Rn; n = 0–2): DFT performances and periodic trends
The performances of the DFT functionals B3LYP, BHandHLYP, M06, M06-2X, PBE1PBE, TPSSh, X3LYP, and BP86 have been benchmarked with a thermochemistry database containing 50 bond dissociation energies (BDEs) of M–OH
-
Article
Gaseous iron(II) and iron(III) complexes with BINOLate ligands
Electrospray ionization (ESI) of dilute solutions of 1,1′-bi-2-naphthol (BINOL) and iron(II) or iron(III) sulfate in methanol/water allows the generation of monocationic complexes of iron and deprotonated BINO...
-
Chapter
Diastereoselective Effects in Gas-Phase Ion Chemistry
A method for the investigation of diastereoselective effects in reactions of gaseous ions bearing flexible backbones is described. It relies on the study of diastereoselectively labeled substrates that are stu...
-
Article
Experimental and theoretical studies of diatomic gold halides
The diatomic gold halides AuX are studied by means of Fourier-transform ion cyclotron resonance mass spectroscopy and ab initio theory at a quasi-relativistic CCSD(T) level of theory. A thermokinetic approach ...
-
Article
Charge inversion as a structural probe for C6H 5 + and C6H 6 +· cations
Charge reversal (+CR−) of cations to anions can be used to structurally differentiate isomeric C6H 5 + and C6H 6 +· ...
-
Article
The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
The phenyl cation is known to have two low-energy minima, corresponding to 1 A 1 and 3 B 1 states, the first of which is more stable by ca. 25 kcal/mol. The minimum energy crossing point between these two surfac...
-
Chapter and Conference Paper
Remote Functionalization of Carbon-Hydrogen and Carbon-Carbon Bonds by Bare Transition Metal Ions in the Gas Phase
The selective functionaIization of C-H bonds remains one of the major focuses of catalytic and organic chemistry. High selectivity is often achieved by the presence of activating groups which induce the reacti...
-
Article
Synthesen von Xyluron- und Riburonsäurederivaten
Various 3-O-acyl-pentofuranurononitrils were synthesized by acylating dehydration of 1,2-isopropylidene-d-xylo- andd-ribo-pentodialdo-furanose oximes, or pentofuranuronic acids via intermediates. Their reactions ...
-
Article
Eliminierungen an Penturon- und Hepturonsäurederivaten
Some previously described derivatives ofd-xyluronic andd-riburonic acid together with newly prepared 6-deoxy-d-gluco-heptofuranuronic acid derivatives are compared in elimination and addition reactions.
-
Article
Reaktionen der Glucuronsäure, 3. Mitt.
Beim Versuch der Gewinnung von 5,6-Didesoxy-5,6-imino-l-ido-furanosiden aus einer Reihe verschieden substituierter 5-O-Mesyl-d-glucofuranosiduronsäurenitrile wurden im Zuge der katalytischen Hydrierung in unvorhe...
