The aluminum-nitrogen bond in monomeric bis(amino)alanes. A systematic experimental study of bis(tetramethylpiperidino)alanes and quantum mechanical calculations on the model system (H2N)2AlY
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An Ia mechanism was assigned for water exchange on the hexaaquaions Rh(OH2)63+ and Ir(OH2)63+ on the basis of negative ΔV⧧ experimental values (−4.2 and −5.7 cm3 mol-1, respectively). The use of ΔV⧧ as a mechanistic criterion was open to debate primarily b ...
Prepn. of the title compd. (I) from starting materials CI4 and AgAl{OC(CF3)3}4 was performed with the complete exclusion of light and with carefully purified diiodine-free CI4, since CI4 decomps. within minutes in soln. in light with formation of I2 ...
Recently we reported on the synthesis and characterization of a series of very weakly coordinating anions (WCA's) of type Al(OR)4- (R=poly or perfluorinated aliph. alkoxide). These anions produce "Pseudo Gas Phase Conditions" in the solid state that allo ...
Reaction pathways during CO2 hydrogenation catalyzed by the Ru dihydride complex [Ru(dmpe)2H2] (dmpe=Me2PCH2CH2PMe2) have been studied by DFT calculations and by IR ...
We have previously shown that the switch from N-cadherin to OB-cadherin expression increases intercellular adhesion between fibroblasts during their transition from a migratory to a fibrogenic phenotype. Using atomic force microscopy we here show that part ...
Protonation of norbom-5-en-2-one gives 6-oxo-2-norbomyl cation (2) as most stable C7H9O+ cation. Quantum calculations at B3LYP/6-31G(d) level (gas phase, 1 atm, 25 degrees C) predict a C-s-structure for 2 that can be represented as an intramolecular pi-com ...
We present in this work a new technique, which combines laser photofragmentation spectroscopy with tandem mass spectrometry, for structural investigations of biomolecular ions in the gas phase. A novel apparatus was designed and built for the implementatio ...
Ru(II) and Os(II) p-cymene dichloride complexes with either a pta (1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) or [pta-Me]Cl ligand which exhibit anticancer activity were prepd. and characterized by 1H and 31P NMR spectroscopy and mass spectrometry. Thr ...
The IR and Raman spectra and conformations of the ionic liquid 1-ethyl-3-methyl-1H-imidazolium tetrafluoroborate, [EMIM][BF4] (6), were analyzed within the framework of scaled quantum mechanics (SQM). It was shown that SQM successfully reproduced the spect ...
We present a hybrid time-dependent d. functional/mol. mechanics (TDDFT/MM) simulation study on the optical properties of aminocoumarins in gas phase and soln. As solvation is described through a mol. approach, the effects due to the inhomogeneities of the ...
