The Structure of Microsolvated Benzene Derivatives and the Role of Aromatic Substituents

Microsolvation of the acetanilide cation (AA+) in a nonpolar solvent: IR spectra of AA+–Lnclusters (L = He, Ar, N2; n ≤ 10)

“…It is well established that the fruitful combination of spectroscopy and quantum chemical techniques applied to isolated and size-selected clusters provides direct access to this potential. [3][4][5][6][7][8][9][10][11] In these A-L n clusters, the aromatic chromophore (A) can be solvated by a well-defined and adjustable number (n) of ligands (L). Here, we investigate the interaction of the acetanilide (AA, N-phenylacetamide, C 8 H 9 N, Fig.…”

Vibrational Spectroscopy of Gas Phase Functional Molecules and Their Complexes Cooled in Supersonic Beams

“…Thus, the electronic spectrum of the monitored species is obtained as a function of the pump UV frequency. For the measurement of the IR spectrum of a specific complex we apply IR-UV DR spectroscopy [lower panel of Figure 1(b)] (Brutschy, 2000;Ebata, 2009;Tanabe et al, 1993;Zwier, 1996). The principle of this technique is very similar to UV-UV HB spectroscopy, except we use a tunable IR laser light for the pump laser.…”

Understanding Clusters toward the Design of Functional Molecules and Nanomaterials

“…Calix [4]imidazolium [2]pyridine, 5 ( Fig. 8) showed high affinity and selectivity for the fluoride anion due to the unique 1:1 binding mode of interaction compared to 1:2 binding profile with other halide anions.…”

“…A wide variety of atomic and molecular clusters including organic/inorganic/hybrid/metal nanoclusters (such as Hbonded clusters, 1,2 -system-containing clusters, [3][4][5] inorganic clusters, [6][7][8] and metal clusters [9][10][11] ) have been studied experimentally and theoretically. However, it is interesting to note that its practical utility has hardly been seriously considered in theoretical chemistry.…”