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Application of photoelectron spectroscopy to biologically active molecules and their constituent parts. VIII. Thalidomide
Author(s) -
Klasinc L.,
Trinajstića N.,
Knop J. V.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180739
Subject(s) - x ray photoelectron spectroscopy , chemistry , molecule , thalidomide , computational chemistry , spectroscopy , chemical physics , combinatorial chemistry , organic chemistry , nuclear magnetic resonance , physics , biology , quantum mechanics , immunology , multiple myeloma
The Hel photoelectron (PE) spectra of thalidomide [2‐(2,6‐dioxo‐3‐piperidiny])‐1H‐isoindole‐1,3(2H)‐dione] (I) and its composite parts glutarimide and phthalimide were recorded. The electronic structure of (I) is determined using the composite molecule approach and compared with the results of various types of semiempirical calculations assuming validity of Koopmans' theorem.