TITLE

Evolution of the vibrational spectrum of ammonia from single molecule to bulk

AUTHOR(S)
Slipchenko, Mikhail N.; Sartakov, Boris G.; Vilesov, Andrey F.
PUB. DATE
April 2008
SOURCE
Journal of Chemical Physics;4/7/2008, Vol. 128 Issue 13, p134509
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Offset not found
ACCESSION #
31632588

Tags: AMMONIA;  MOLECULES;  HYDROGEN bonding;  LASER spectroscopy;  SPECTRUM analysis;  CHEMISTRY, Physical & theoretical

 

Related Articles

  • Analysis of anisotropic local field in sum frequency generation spectroscopy with the charge response kernel water model. Ishiyama, Tatsuya; Morita, Akihiro // Journal of Chemical Physics;12/28/2009, Vol. 131 Issue 24, p244714 

    A new flexible and polarizable water model based on the charge response kernel (CRK) theory is developed for the analysis of sum frequency generation (SFG) spectroscopy. The CRK model well describes several bulk water properties and SFG spectrum by molecular dynamics (MD) calculations. While the...

  • Orientational dynamics of hydrogen-bonded phenol. Rezus, Y. L. A.; Madsen, D.; Bakker, H. J. // Journal of Chemical Physics;Dec2004, Vol. 121 Issue 21, p10599 

    We use femtosecond mid-infrared pump-probe spectroscopy to study the effects of hydrogen bonding on the orientational dynamics of the OD-stretch vibration of phenol-d. We study two samples: phenol-d in chloroform and phenol-d in chloroform to which we added excess acetone. For phenol-d in...

  • FT-Raman and IR Spectral Analysis and DFT Computations of NLO Crystal L-Valine Hydrobromide. Joe, I. Hubert // AIP Conference Proceedings;8/6/2010, Vol. 1267 Issue 1, p1194 

    The article presents information on the vibrational spectral studies of L-Valine Hydrobromide. The study has been conducted by using the density functional theory calculation. The objective of the study is to identify the inter and intramolecular Hydrogen bonding and the first order...

  • Structure and intermolecular interactions ofN-(3,5-di-tert-butyl-4-hydroxybenzyl)thioureas. Bukharov, S. V.; Litvinov, I. A.; Gubaidullin, A. T.; Chernova, A. V.; Shagidullin, R. R.; Nugumanova, G. N.; Mukmeneva, N. A. // Russian Journal of General Chemistry;Nov2004, Vol. 74 Issue 11, p1734 

    The molecular and crystal structure and the hydrogen bonding in crystal and in solutions ofN-phenyl-N-(3,5-di-tert-butyl-4-hydroxybenzyl)thiourea andN-(3,5-di-tert-butyl-4- hydroxybenzyl)thiourea were studied by single crystal X-ray diffraction and IR spectroscopy. The intermolecular...

  • Spectral tuning by switching C�H...O hydrogen bonds: Rotation-induced spectral shifts of 7-hydroxyquinoline�HCOOH isomers. Thut, Markus; Manca, Carine; Tanner, Christian; Leutwyler, Samuel // Journal of Chemical Physics;1/14/2008, Vol. 128 Issue 2, p024304 

    Spectral tuning effects on visible chromophores by hydrogen bonds are central to the chemistry of vision and of photosynthesis. A model for large spectral tuning effects by hydrogen bond switching is provided by the 7-hydroxyquinoline�HCOOH complex, which forms two isomers, CTN1 and CTN2, both...

  • Maximum value of the chemical shift in the 1H NMR spectrum of a hydrogen-bonded complex. Shenderovich, I. // Russian Journal of General Chemistry;Apr2006, Vol. 76 Issue 4, p501 

    The values of chemical shifts in the 1H NMR spectra of complexes with the strongest quasisymmetrical hydrogen bond Ad-...H...Bd+ with a minimal A...B distance were analyzed theoretically. According to the calculations, the maximum of the chemical shift is somewhat displaced from the shift of...

  • The formation of vibrationally excited HD from atomic recombination on cold graphite surfaces. Islam, Farahjabeen; Latimer, Elspeth R.; Price, Stephen D. // Journal of Chemical Physics;8/17/2007, Vol. 127 Issue 6, p064701 

    HD molecules formed in v?=3 and v?=4 have been detected by laser spectroscopy when a cold (15 K) graphite surface is irradiated with H and D atoms. Population of the v?=3, J?=0�6 and v?=4, J?=0�6 levels has been detected and the average rotational temperatures of the nascent HD were...

  • Clusters of classical water models. Kiss, P�ter T.; Baranyai, Andr�s // Journal of Chemical Physics;11/28/2009, Vol. 131 Issue 20, p204310 

    The properties of clusters can be used as tests of models constructed for molecular simulation of water. We searched for configurations with minimal energies for a small number of molecules. We identified topologically different structures close to the absolute energy minimum of the system by...

  • Instantaneous normal mode analysis of orientational motions in liquid water: Local structural effects. Chang, S. L.; Ten-Ming Wu; Chung-Yuan Mou // Journal of Chemical Physics;8/22/2004, Vol. 121 Issue 8, p3605 

    We have investigated the effects of local structures on the orientational motions in liquid water in terms of the instantaneous normal mode (INM) analysis. The local structures of a molecule in liquid water are characterized by two different kinds of index: the asphericity parameter of its...

Share

Read the Article

Courtesy of your local library

Public Libraries Near You (See All)
Looking for a Different Library?

Other Topics