@article{fdi:010081368,
  title = {{L}ocal mode interpretation of the {OH} overtone spectrum of 1 : 1 phyllosilicates},
  author = {{B}alan, {E}. and {F}ritsch, {E}mmanuel and {J}uillot, {F}arid and {A}llard, {T}. and {P}etit, {S}.},
  editor = {},
  language = {{ENG}},
  abstract = {{A}lthough {OH} overtone bands of 1 : 1 phyllosilicates are commonly observed in their near-infrared ({NIR}) spectra, their interpretation in terms of transitions between specific vibrational states is still uncertain. {T}his situation can be traced back to the coupled nature of the fundamental {OH}-stretching modes involving the interlayer {OH} groups of 1 : 1 phyllosilicates. {I}n this case, the overtone spectra cannot be directly related to their fundamental counterparts observed in the mid-infrared ({MIR}) spectra. {I}n the present study, we use a parameterized quantum-mechanical approach to compute the vibrational frequencies related to the fundamental and overtone bands in serpentine group and kaolinite group minerals. {T}he simple model is based on a description of the vibrational properties of a cluster of {OH} groups in terms of harmonically coupled anharmonic oscillators. {T}he comparison of the theoretical results with experimental observations makes it possible to interpret most of the salient features of the overtone spectrum of 1 : 1 phyllosilicates. {U}nlike the bands observed in the {MIR} spectra, the overtone bands observed between 7000 and 7300 cm(-1) are related to local transitions from the ground state to the second excitation level of {OH} groups, whereas the weaker bands observed between 7300 and 7400 cm(-1) involve a double excitation to the first vibrational level of {OH} oscillators. {T}he results also support the assignment of specific overtone bands to the occurrence of substituted divalent cations of transition elements in serpentine group minerals.},
  keywords = {{NOUVELLE} {CALEDONIE}},
  booktitle = {},
  journal = {{E}uropean {J}ournal of {M}ineralogy},
  volume = {33},
  numero = {2},
  pages = {209--220},
  ISSN = {0935-1221},
  year = {2021},
  DOI = {10.5194/ejm-33-209-2021},
  URL = {https://www.documentation.ird.fr/hor/fdi:010081368},
}