IR spectroscopy of molecular ions by nonthermal ion ejection from helium nanodroplets
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D. functional theory methods in combination with vibrational spectroscopy are used to investigate possible variants of mol. structure of the ion pairs of several imidazolium-based ionic liqs. (ILs). Multiple stable structures are detd. with the anion posit ...
The surface and bulk structure of various poly-(lactic acid) (PLA) films were examined by vibrational sum frequency generation (VSFG). In contrast to linear infrared spectroscopy, the VSFG spectra show significantly different characteristics in the CH stre ...
This paper presents the design, fabrication and measurement results of a vertically moving, electrostatically actuated micromirror. The single crystalline silicon substrate allows the design of a symmetrical and mechanically stable mirror suspension while ...
Ultrafast infrared transient absorption spectroscopy is used to study the photoinduced bimolecular electron transfer reaction between perylene in the first singlet excited state and 1,4-dicyanobenzene in acetonitrile and dichloromethane. Following vibratio ...
The pH-dependent water-exchange rates of [(CO)2(NO)Re(H2Ocis)2(H2Otrans)]2+ (1) in aq. media were investigated by means of 17O NMR spectroscopy at 298 K. Because of the low pKa value found for 1 (pKa = 1.4 ± 0.3), the water-exchange rate const. kobsH2Otran ...
We introduce a general scheme for calculating from first principles both the transverse-optical and longitudinal-optical infrared absorption spectra at surfaces or interfaces. A spatial decomposition of the spectra gives the evolution of the infrared activ ...
We determine the fraction f of B atoms belonging to boroxol rings in vitreous boron oxide through a first-principles analysis. After generating a model structure of vitreous B2O3 by first-principles molecular dynamics, we address a large set of properties, ...
During the last decades, weakly coordinating anions (WCAs) have become a field of great interest both in basic and applied chemistry, as – if compared to "normal" classical anions like Cl- or SO42- – they have a lot of unique and unusual properties, such a ...
The novel versatile Co(I) tris-carbene complex [(TIMENxyl)Co]Cl (1) (TIMEN = (tris[2-(3-aryl-2,3-dihydro-1H-imidazol-2-ylidene)ethyl]amine)) reacts with CO, 1-electron oxidizers such as CH2Cl2, and O2 to yield the Co complexes [(TIMENxyl)Co(CO)]Cl (2), [(T ...
The dynamics of the ferric CN complexes of the heme proteins Myoglobin and Hb I from the clam Lucina pectinata upon Soret band excitation is monitored using IR and broad band visible pump-probe spectroscopy. The transient response in the UV-vis spectral re ...