Wydział Chemii

Mirosław A. Czarnecki

2012

Vibrational Spectroscopy

58

193-198

10.1016/j.vibspec.2011.11.012

Naukowa

Angielski

Artykuł

It has been shown that the frequency shift for a single band can be reconstructed by a linear combination of contributions from adjacent bands with fixed positions. Assuming discrete distribution of the peaks in a specified spectral range and an appropriate response function one can generate diverse patterns of spectral changes. This diversity was clearly manifested in the corresponding two-dimensional (2D) asynchronous contour plots that are very sensitive to the pattern of spectral variations in the input data. In the condensed phases the shape of spectral envelopes results from the superposition of numerous bands. Hence, in most cases the apparent ‘frequency shift’ actually means the ‘intensity shift’ due to variations in population of the species absorbing at different wave numbers.

Frequency shift, Origin of spectral changes, Vibrational spectra, 2D correlation spectroscopy, Simulated spectra, Hydrogen bonding, Cyclohexanol

https://doi.org/10.1016/j.vibspec.2011.11.012

http://www.elsevier.com