Chemical origin of red shift of CO stretching vibration in acetone complexes with various metal cations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference20 articles.
1. Structures of Cationized Proline Analogues: Evidence for the Zwitterionic Form
2. Structures and Hydration Enthalpies of Cationized Glutamine and Structural Analogues in the Gas Phase
3. Influence of d Orbital Occupation on the Binding of Metal Ions to Adenine
4. A Thermodynamic “Vocabulary” for Metal Ion Interactions in Biological Systems
5. An experimental and theoretical dissection of potassium cation/glycine interactionsElectronic supplementary information (ESI) available: Fig. S1 shows a complete set of figures for collision-induced dissociation of six potassiated complexes with Xe. Table S1 lists vibrational frequencies and average vibrational energies at 298 K of the neutral molecules and potassiated complexes determined from vibrational analysis at the MP2(full)/6-31G(d) level. Table S2 lists rotational constants for the potassiated complexes and products for all seven K+(L) systems calculated at the same level of theory. Tables S3, S4, and S5 contain Cartesian coordinates for the neutral ligands and potassiated complexes calculated at the MP2(full)/6-31G(d), MP2(full)/6-31+G(d,p), and B3LYP/aug-cc-pVDZ levels. See http://www.rsc.org/suppdata/cp/b3/b315642g/
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