Structural and Spectroscopic Properties of New Copper(I) Complexes with 1,1,1-Tris(diphenylphosphanylmethyl)ethane and Heterocyclic Thiolates
Φόρτωση...
Ημερομηνία
Συγγραφείς
Aslanidis, P.
Cox, P. J.
Kapetangiannis, K.
Tsipis, A. C.
Τίτλος Εφημερίδας
Περιοδικό ISSN
Τίτλος τόμου
Εκδότης
Περίληψη
Τύπος
Είδος δημοσίευσης σε συνέδριο
Είδος περιοδικού
peer reviewed
Είδος εκπαιδευτικού υλικού
Όνομα συνεδρίου
Όνομα περιοδικού
European Journal of Inorganic Chemistry
Όνομα βιβλίου
Σειρά βιβλίου
Έκδοση βιβλίου
Συμπληρωματικός/δευτερεύων τίτλος
Περιγραφή
Reactions of copper(l) halides with 1,1,1-tris(diphenylphos-phanylmethyl)ethane (triphos) in 1: 1 molar ratio afforded mo-nonuclear complexes of the type [CuX(triphos)] which on further treatment with one equivalent of the potassium thiolate salt, of a heterocyclic thione gave rise to the formation of mixed-ligand complexes of the formula [Cu(kappa(3)-triphos)(kappa(1)-thiolate)]. The molecular structures of [Cu(kappa(3)-triphos)(kappa(1)-py2S)]center dot C(2)H(5)OH (1) and [Cu(kappa(3)-triphos)(kappa(1)-pymt)] (2) have been established by single-crystal X-ray diffraction. The complexes adopt a rigid distorted tetrahedral geometry with the phosphane ligand acting in a tridentate chelating mode. The complexes are strongly luminescent in solution and in the solid state. The spectroscopic and electronic properties of the new copper(I) complexes have been computed by electronic structure computational techniques (TD-DFT calculations), that contribute to the assignments of electronic spectra. The high-energy absorptions in the absorption spectra of complexes 1 and 2, ranging from 210 to 270 nm, are assigned to MLCT/LLCT transitions and the same also holds true for the low-energy absorptions found in the range 280 to 300 run. In the lowest triplet excited state, T(1), involved in the emission in the 456-502 nm range, the spin density is delocalized over the entire nuclear framework. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Περιγραφή
Λέξεις-κλειδιά
copper(i) complexes, triphos, heterocyclic thiolates, luminescence, td-dft calculations, density-functional thermochemistry, electronic population analysis, molecular wave functions, crystal-structures, mononuclear, exchange, metal, pseudopotentials, polyphosphines, hydrogenation
Θεματική κατηγορία
Παραπομπή
Σύνδεσμος
<Go to ISI>://000261292300005
http://onlinelibrary.wiley.com/store/10.1002/ejic.200800691/asset/5029_ftp.pdf?v=1&t=h0f8y5kj&s=ab41880750c7a1af19eb6b2845e5c5cdde39cefd
http://onlinelibrary.wiley.com/store/10.1002/ejic.200800691/asset/5029_ftp.pdf?v=1&t=h0f8y5kj&s=ab41880750c7a1af19eb6b2845e5c5cdde39cefd
Γλώσσα
en
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Όνομα επιβλέποντος
Εξεταστική επιτροπή
Γενική Περιγραφή / Σχόλια
Ίδρυμα και Σχολή/Τμήμα του υποβάλλοντος
Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας