Vibrational Spectroscopy: Structural Analysis from Molecules to Nanomaterials
نویسندگان
چکیده
منابع مشابه
Polarizable molecules in the vibrational spectroscopy of water.
We examine the role of electronic polarizability in water on short (tens of femtoseconds), intermediate (hundreds of femtoseconds), and long (approximately 1 ps) time scales by comparing molecular dynamics results to experimental data for vibrational spectroscopy of HOD in liquid D2O. Because the OH absorption frequency is sensitive to the details of the atomic forces experienced in the liquid,...
متن کاملCalculation of anharmonic vibrational spectroscopy of small biological molecules
R. B. Gerber,* B. Brauer, S. K. Gregurick and G. M. Chaban Department of Physical Chemistry and Fritz Haber Research Center, The Hebrew University, Jerusalem 91904, Israel Department of Chemistry, University of California, Irvine, CA 92697, USA Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 20215, USA NASA Ames Research Center, Moffet Field, CA...
متن کاملVibrational cross-angles in condensed molecules: a structural tool.
The fluctuations of three-dimensional molecular conformations of a molecule in different environments play critical roles in many important chemical and biological processes. X-ray diffraction (XRD) techniques and nuclear magnetic resonance (NMR) methods are routinely applied to monitor the molecular conformations in condensed phases. However, some special requirements of the methods have preve...
متن کاملHigh-resolution spectroscopy and the analysis of ro-vibrational transitions of molecules in solid parahydrogen
Solid parahydrogen provides a novel matrix for isolation spectroscopy of atoms and molecules. Ro-vibrational motion of molecules embedded in solid parahydrogen is well quantized on account of the weak interactions in the crystal and of the softness of the crystal being characteristic of quantum crystals. Most of the observed spectral linewidths are one or two orders of magnitude sharper than th...
متن کاملStructural characterization and vibrational spectroscopy of the arsenate mineral wendwilsonite.
In this paper, we have investigated on the natural wendwilsonite mineral with the formulae Ca2(Mg,Co)(AsO4)2⋅2(H2O). Raman spectroscopy complimented with infrared spectroscopy has been used to determine the molecular structure of the wendwilsonite arsenate mineral. A comparison is made with the roselite mineral group with formula Ca2B(AsO4)2⋅2H2O (where B may be Co, Fe(2+), Mg, Mn, Ni, Zn). The...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Spectroscopy
سال: 2011
ISSN: 1687-9449,1687-9457
DOI: 10.1155/2011/795694