Structure and Hydrogen Bonding of 2-aminopyridine·(H2O)n (n=1,2) Studied by Infrared Ion Depletion Spectroscopy
1.
SYSNO ASEP
0101140
Document Type
J - Journal Article
R&D Document Type
Journal Article
Subsidiary J
Ostatní články
Title
Structure and Hydrogen Bonding of 2-aminopyridine·(H2O)n (n=1,2) Studied by Infrared Ion Depletion Spectroscopy
Title
Studium struktury a vodíkové vazby 2-aminopyridin. (H2O)n (n= 1,2) infračervenou spektroskopií úbytku iontů
Author(s)
Wu, R. (DE) Nachtigall, Petr (UFCH-W) Brutschy, B. (DE)
Source Title
Physical Chemistry Chemical Physics. - : Royal Society of Chemistry
- ISSN 1463-9076
Roč. 6, č. 3 (2004), s. 515-521
Number of pages
7 s.
Language
eng - English
Country
GB - United Kingdom
Keywords
hydrogen bonding ; electronic and vibrational spectra ; spectroscopy
Subject RIV
CF - Physical ; Theoretical Chemistry
R&D Projects
LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ
AV0Z4040901 - UFCH-W
Annotation
The electronic and vibrational spectra of the clusters of 2-aminopyridine (2AP) with one and two water molecules have been measured by using resonant two-photon ionization (R2PI) and IR-UV ion depletion spectroscopy (IR/R2PI). Under microhydration the aromatic nitrogen forms a very strong H-bond with water. The H-bonded OH stretching vibrations for 2AP.DOT.H2O and 2AP.DOT.(H2O)2 exhibit a red shift of 254 and 413 cm-1, respectively, relative to the symmetric stretching vibration of free water. In addition water forms a H-bond with the amino group, resulting in a cyclic structure for both clusters. Due to a reduced geometric strain, two water molecules exhibit stronger H-bonds. These results are well supported by calculations on the density functional theory level.
