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Vibrational solvatochromism and electrochromism. II. Multipole analysis

Hochan Lee1, Jun-Ho Choi, Minhaeng Cho

  • 1Department of Chemistry and Research Institute for Basic Sciences, Korea University, Seoul 136-713, South Korea.

The Journal of Chemical Physics
|September 25, 2012
PubMed
Summary

Small infrared probe molecules reveal local electric fields in solutions and proteins. A multipole analysis shows higher-order moments, not just dipoles, significantly impact vibrational frequency shifts, offering new insights into molecular interactions.

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