Premium
Ultrafast Hopping from Band to Band: Assigning Infrared Spectra based on Vibrational Energy Transfer
Author(s) -
MüllerWerkmeister Henrike M.,
Li YunLiang,
Lerch ElizaBeth W.,
Bigourd Damien,
Bredenbeck Jens
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201209916
Subject(s) - infrared , ultrashort pulse , infrared spectroscopy , computer science , computation , spectral line , service (business) , molecule , interpretation (philosophy) , information retrieval , chemistry , theoretical computer science , physics , algorithm , quantum mechanics , laser , economy , economics , programming language
Distance matters : Interpretation of infrared spectra regularly involves the assignment of absorption bands to certain functional groups of the molecule. Distance‐dependent vibrational energy transfer can be used for exact band assignment in molecules in which assignment is difficult and quantum chemical computations are contradictory.