Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Synthesis and non-linear optical properties of some novel nickel derivatives
Δημιουργός/Συγγραφέας:	Soras, G. Psaroudakis, N. [EL] Μούσδης, Γεώργιος Α.[EN] Mousdis, George A. Manos, M. J. Tasiopoulos, A. J. Aloukos, P. Couris, S. Labeguerie, P. Lipinski, J. Avramopoulos, A. [EL] Παπαδόπουλος, Μάνθος Γ.[EN] Papadopoulos, Manthos G.
Εκδότης:	Elsevier BV, North-Holland
Τόπος έκδοσης:	AMSTERDAM
Ημερομηνία:	2010-06-16
Γλώσσα:	Αγγλικά
ISSN:	0301-0104
DOI:	10.1016/j.chemphys.2010.04.019
Περίληψη:	The synthesis of a new nickel complex with an extended multi-sulfur dithiolene ligand Ni(etodddt)(2) (etodddt = 4,5-(1,4-oxathiane-2,3-diyldithio)-1,3-dithiole) is described. It is characterized analytically and spectroscopically. The structure of the compound is determined by single crystal X-ray crystallography. Its redox potentials are determined using cyclic voltammetry and are compared with similar dithiolene complexes. Several other nickel derivatives are synthesized: bis(5,6-dihydro-1,4-dithiine-2,3-dithiole) nickel (Ni(dddt)(2)) and bis(6,7-dihydro-5H-[1,4] dithiepine-2,3-ddithiole) nickel (Ni(pddt)(2)). The non-linear optical response of the synthesized dithiolenes is measured in the visible (532 nm) and in the infrared (1064 nm) using the Z-scan technique with picosecond laser pulses. Both the refractive and absorptive parts of the third-order susceptibility chi((3)) are determined and the second-order hyperpolarizabilities c of the dithiolenes are determined and compared between them and with other reported in the literature data. The second hyperpolarizabilities of the synthesized metal derivatives are calculated by employing a series of computational approaches, involving density functional theory and a semi-empirical method. The. first strong transition of the derivatives is attributed mainly to HOMO-LUMO pair connected with the intramolecular charge transfer pi --> pi*. Similar trends are observed between the experimental and the theoretical second hyperpolarizabilities, although the former are much larger due to resonance enhancement. The reported analysis demonstrates the complementarity of both experimental and theoretical results. It is shown that modest substitution of Ni(SCH)(4), for example substitution of four H atoms by two S(2)C(2)H(4) groups, leads to a very large increase of the second hyperpolarizability.
Τίτλος πηγής δημοσίευσης:	Chemical Physics
Τόμος/Κεφάλαιο:	372
Τεύχος:	1-3
Σελίδες:	33-45
Θεματική Κατηγορία:	[EL] Χημεία (Γενικά)[EN] Chemistry (General) [EL] Φυσική[EN] Physics
Λέξεις-Κλειδιά:	Non-linear optical properties Nickel derivatives Z-scan technique Third-order susceptibility chi((3)) Hyperpolarizabilities GRINDOL DFT Chemistry, Physical Physics, Atomic, Molecular & Chemical
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2010 Elsevier B. V. All rights reserved.
Ηλεκτρονική διεύθυνση περιοδικού (link) :	http://www.elsevier.com/locate/chemphys
ΙΒΦΧΒ: αρχειακή συλλογή:	Ινστιτούτο Οργανικής και Φαρμακευτικής Χημείας (ΙΟΦΧ) (έως 2012)
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο