Literature DB >> 19334895

Fourier transform infrared spectroscopy of 1-cyclohexyluracil aggregates in CDCl(3) solutions.

Lars Biemann1, Thomas Häber, Karl Kleinermanns.   

Abstract

We reinvestigated the self-aggregation of 1-cyclohexyluracil (1CHU) in CDCl(3) solutions. Wavelength dependent absolute extinction coefficients of the monomer and of dimers are presented on the basis of a simple deconvolution method. Two isomeric dimer structures coexist in a solution with similar abundance. Our results are supported by RI-B3LYP/TZVP calculations within the conductorlike screening model framework to account for solvent effects in the ab initio calculations.

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Year:  2009        PMID： 19334895     DOI： 10.1063/1.3098352

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


  2 in total

1.  N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

Authors:  Christian Greve; Nicholas K Preketes; Rene Costard; Benjamin Koeppe; Henk Fidder; Erik T J Nibbering; Friedrich Temps; Shaul Mukamel; Thomas Elsaesser
Journal:  J Phys Chem A       Date:  2012-07-18       Impact factor: 2.781

2.  N-H stretching excitations in adenosine-thymidine base pairs in solution: pair geometries, infrared line shapes, and ultrafast vibrational dynamics.

Authors:  Christian Greve; Nicholas K Preketes; Henk Fidder; Rene Costard; Benjamin Koeppe; Ismael A Heisler; Shaul Mukamel; Friedrich Temps; Erik T J Nibbering; Thomas Elsaesser
Journal:  J Phys Chem A       Date:  2013-01-07       Impact factor: 2.781
  2 in total

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