{"id":{"repo_id":"greece","oai_identifier":"oai:10442/0503"},"canonical_url":"https://search.dev.ndltd.org/etd/greece/oai:10442/0503","repository":{"repo_id":"greece","name":"Greek National Archive of PhD Theses","base_url":"https://phdtheses.ekt.gr/eadd_oai/request"},"display":{"title":"ΚΒΑΝΤΟΧΗΜΙΚΗ ΚΑΙ ΠΕΙΡΑΜΑΤΙΚΗ ΜΕΛΕΤΗ ΤΗΣ ΔΟΜΗΣ ΚΑΙ ΤΩΝ ΦΑΙΝΟΜΕΝΩΝ ΥΠΕΡΑΝΤΑΛΛΑΓΗΣΔΙΚΕΝΤΡΙΚΩΝ D9:D9 ΜΑΓΝΗΤΙΚΩΝ ΣΥΣΤΗΜΑΤΩΝ ΜΕ ΓΕΦΥΡΕΣ ΕΚΤΕΤΑΜ...","abstract":"NINE COMPLEXES OF THE FORMULA [CU(AMINE)12(M-DTTA) CU(AMINE)12](CLO4)2 HAVE BEEN STUDIED WHERE DTTA=DITHIOTEREPHTHALIC ACID. THE SPECTROSCOPIC (IR, UV-VIS) AND EPR STUDIES VERIFIED THE LOCAL CHROMOPHORE STRUCTURES AS DISTORTED OCTAHEDRALOR DISTORTED SQUARE PLANAR ONES. MAGNETIC MEASUREMENTS ON TWO OF THE COMPOUNDSREVEAL A WEAK SUPEREXCHANGE PHENOMENON TO BE PROPAGATED THROUGH THE BRIDGE. THE MAGNITUDE OF THE SUPEREXCHANGE SEEMS TO BE CONTROLLED BY THE LOCAL CHROMOPHORE GEOMETRY. THE EHMO, QUANTUM CHEMICAL RESULTS FOR MODEL COMPLEXES, ARE IN ACCORDANCE WITH THE ABOVE OBSERVATION, NOT ONLY FOR DITHIOTEREPHTHALATE MODELS (WHERE THE CALCULATED ELECTRONIC TRANSITIONS AGREE WITH THE OBSERVED ONES), BUT FOROTHER CU(II) DIMER COMPOUNDS AS WELL. BASED ON SUCH QUANTUM CHEMICAL RESULTS, A TENDENCY FOR STRONGER ANTIFERROMAGNETIC COUPLING IS PREDICTED AS THE BRIDGINGLIGAND (DITHIOFUMARIC ACID, DITHOXALIC ACID, S,O) BRING THE TWO COPPER CENTERSCLOSER.","abstract_html":"NINE COMPLEXES OF THE FORMULA [CU(AMINE)12(M-DTTA) CU(AMINE)12](CLO4)2 HAVE BEEN STUDIED WHERE DTTA=DITHIOTEREPHTHALIC ACID. THE SPECTROSCOPIC (IR, UV-VIS) AND EPR STUDIES VERIFIED THE LOCAL CHROMOPHORE STRUCTURES AS DISTORTED OCTAHEDRALOR DISTORTED SQUARE PLANAR ONES. MAGNETIC MEASUREMENTS ON TWO OF THE COMPOUNDSREVEAL A WEAK SUPEREXCHANGE PHENOMENON TO BE PROPAGATED THROUGH THE BRIDGE. THE MAGNITUDE OF THE SUPEREXCHANGE SEEMS TO BE CONTROLLED BY THE LOCAL CHROMOPHORE GEOMETRY. THE EHMO, QUANTUM CHEMICAL RESULTS FOR MODEL COMPLEXES, ARE IN ACCORDANCE WITH THE ABOVE OBSERVATION, NOT ONLY FOR DITHIOTEREPHTHALATE MODELS (WHERE THE CALCULATED ELECTRONIC TRANSITIONS AGREE WITH THE OBSERVED ONES), BUT FOROTHER CU(II) DIMER COMPOUNDS AS WELL. BASED ON SUCH QUANTUM CHEMICAL RESULTS, A TENDENCY FOR STRONGER ANTIFERROMAGNETIC COUPLING IS PREDICTED AS THE BRIDGINGLIGAND (DITHIOFUMARIC ACID, DITHOXALIC ACID, S,O) BRING THE TWO COPPER CENTERSCLOSER.","abstract_has_math":false,"creators":["Ακριβός, Περικλής","Akrivos, Periklis"],"institution":"Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ)","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":[],"advisors":[],"committee_chairs":[],"committee_members":[],"year":1987,"date_issued":"1987","date_published":"1987","updated_at":"2026-07-24T02:25:17Z","subjects":["BIMETALLIC {OR BINUCLEAR} COPPER COMPLEXES","BIVALENT COPPER COORDINATION COMPOUNDS","ELECTRONIC STRUCTURE","EXTENDED HUCKEL CALCULATIONS","MAGNETIC SUPEREXCHANGE","Quantum chemical calculations","ΔΙΚΕΝΤΡΙΚΑ ΣΥΜΠΛΟΚΑ ΧΑΛΚΟΥ","ΕΝΩΣΕΙΣ ΣΥΝΑΡΜΟΓΗΣ ΔΙΣΘΕΝΟΥΣ ΧΑΛΚΟΥ","Ηλεκτρονική δομή","Κβαντοχημικοί υπολογισμοί","ΜΑΓΝΗΤΙΚΗ ΥΠΕΡΑΝΤΑΛΛΑΓΗ","ΥΠΟΛΟΓΙΣΜΟΣ EXTENDED HUCKEL","Φυσικές Επιστήμες","Natural Sciences","Χημεία","Chemical Sciences"],"languages":["gre"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["10.12681/eadd/0503"],"render_values":[{"text":"10.12681/eadd/0503","href":"https://doi.org/10.12681/eadd/0503","code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/10442/hedi/0503","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:creator","label":"Author","values":["Ακριβός, Περικλής","Akrivos, Periklis"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["1987"]},{"key":"dc:publisher","label":"Institution","values":["Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ)","Aristotle University Of Thessaloniki (AUTH)"]},{"key":"dc:type","label":"Dc Type","values":["PhD Thesis"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["BIMETALLIC {OR BINUCLEAR} COPPER COMPLEXES","BIVALENT COPPER COORDINATION COMPOUNDS","ELECTRONIC STRUCTURE","EXTENDED HUCKEL CALCULATIONS","MAGNETIC SUPEREXCHANGE","Quantum chemical calculations","ΔΙΚΕΝΤΡΙΚΑ ΣΥΜΠΛΟΚΑ ΧΑΛΚΟΥ","ΕΝΩΣΕΙΣ ΣΥΝΑΡΜΟΓΗΣ ΔΙΣΘΕΝΟΥΣ ΧΑΛΚΟΥ","Ηλεκτρονική δομή","Κβαντοχημικοί υπολογισμοί","ΜΑΓΝΗΤΙΚΗ ΥΠΕΡΑΝΤΑΛΛΑΓΗ","ΥΠΟΛΟΓΙΣΜΟΣ EXTENDED HUCKEL","Φυσικές Επιστήμες","Natural Sciences","Χημεία","Chemical Sciences"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["gre"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["10.12681/eadd/0503","http://hdl.handle.net/10442/hedi/0503"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["NINE COMPLEXES OF THE FORMULA [CU(AMINE)12(M-DTTA) CU(AMINE)12](CLO4)2 HAVE BEEN STUDIED WHERE DTTA=DITHIOTEREPHTHALIC ACID. THE SPECTROSCOPIC (IR, UV-VIS) AND EPR STUDIES VERIFIED THE LOCAL CHROMOPHORE STRUCTURES AS DISTORTED OCTAHEDRALOR DISTORTED SQUARE PLANAR ONES. MAGNETIC MEASUREMENTS ON TWO OF THE COMPOUNDSREVEAL A WEAK SUPEREXCHANGE PHENOMENON TO BE PROPAGATED THROUGH THE BRIDGE. THE MAGNITUDE OF THE SUPEREXCHANGE SEEMS TO BE CONTROLLED BY THE LOCAL CHROMOPHORE GEOMETRY. THE EHMO, QUANTUM CHEMICAL RESULTS FOR MODEL COMPLEXES, ARE IN ACCORDANCE WITH THE ABOVE OBSERVATION, NOT ONLY FOR DITHIOTEREPHTHALATE MODELS (WHERE THE CALCULATED ELECTRONIC TRANSITIONS AGREE WITH THE OBSERVED ONES), BUT FOROTHER CU(II) DIMER COMPOUNDS AS WELL. BASED ON SUCH QUANTUM CHEMICAL RESULTS, A TENDENCY FOR STRONGER ANTIFERROMAGNETIC COUPLING IS PREDICTED AS THE BRIDGINGLIGAND (DITHIOFUMARIC ACID, DITHOXALIC ACID, S,O) BRING THE TWO COPPER CENTERSCLOSER.","ΕΝΝΕΑ ΣΥΜΠΛΟΚΑ ΤΟΥ ΤΥΠΟΥ [CU(AMINE)12 (M-DTTA) CU(AMINE)12](CLO4)2 ΜΕΛΕΤΗΘΗΚΑΝ,ΟΠΟΥ DTTA=ΔΙΘΕΙΟΤΕΡΕΦΘΑΛΙΚΟ ΟΞΥ. ΟΙ ΦΑΣΜΑΤΟΣΚΟΠΙΚΕΣ ΜΕΤΡΗΣΕΙΣ (IR, ΟΙ ΜΕΤΡΗΣΕΙΣ EPR ΠΡΟΣΔΙΟΡΙΣΑΝ ΠΑΡΑΜΟΡΦΩΜΕΝΕΣ ΟΚΤΑΕΔΡΙΚΕΣ 'Η ΤΕΤΡΑΓΩΝΕΣ ΓΕΩΜΕΤΡΙΕΣ ΓΙΑ ΤΑ ΣΥΜΠΛΟΚΑ. ΜΑΓΝΗΤΙΚΕΣ ΜΕΤΡΗΣΕΙΣ ΣΕ ΔΥΟ ΑΠΟ ΤΑ ΣΥΜΠΟΛΚΑ ΕΜΦΑΝΙΣΑΝ ΑΣΘΕΝΗ ΣΥΖΕΥΞΗ ΤΩΝ SPIN ΠΟΥ ΠΡΟΩΘΕΙΤΑΙ ΜΕΣΑ ΑΠΟ ΤΟ ΜΟΡΙΟ ΤΗΣ ΓΕΦΥΡΑΣ. ΤΟ ΜΕΓΕΘΟΣ ΑΥΤΗΣ ΤΗΣ ΣΥΖΕΥΞΗΣ ΦΑΙΝΕΤΑΙ ΟΤΙ ΜΠΟΡΕΙ ΝΑ ΕΛΕΓΧΘΕΙ ΑΠΟ ΤΗΝ ΤΟΠΙΚΗ ΓΕΩΜΕΤΡΙΑ ΤΟΥ ΧΡΩΜΟΦΟΡΟΥ. ΤΑ ΚΒΑΝΤΟΧΗΜΙΚΑ ΑΠΟΤΕΛΕΣΜΑΤΑ EHMO ΠΑΝΩ ΣΕ ΜΟΝΤΕΛΑ ΣΥΜΠΛΟΚΩΝ, ΒΡΙΣΚΟΝΤΑΙ ΣΕ ΣΥΜΦΩΝΙΑ ΜΕ ΤΗΝ ΠΑΡΑΤΗΡΗΣΗ ΑΥΤΗ, ΟΧΙ ΜΟΝΟ ΓΙΑ ΣΥΜΠΛΟΚΑ ΤΟΥ ΔΙΘΕΙΟΤΕΡΕΦΘΑΛΙΚΟΥ ΟΞΕΟΣ (ΟΠΟΥ ΤΑ ΔΕΔΟΜΕΝΑ ΤΩΝ ΥΠΟΛΟΓΙΣΜΩΝ ΣΥΜΦΩΝΟΥΝ ΜΕ ΤΑ ΠΕΙΡΑΜΑΤΙΚΑ, ΟΣΟΝ ΑΦΟΡΑ ΤΙΣ ΗΛΕΚΤΡΟΝΙΚΕΣ ΔΙΕΡΓΑΣΙΕΣ), ΑΛΛΑ ΚΑΙ ΓΙΑ ΑΛΛΑ ΔΙΜΕΡΗ ΣΥΜΠΛΟΚΑ ΤΟΥ CU(II). ΜΕ ΒΑΣΗ ΤΑ ΥΠΟΛΟΓΙΣΤΙΚΑ ΔΕΔΟΜΕΝΑ, ΠΡΟΒΛΕΠΕΤΑΙ ΜΙΑ ΤΑΣΗ ΓΙΑ ΙΣΧΥΡΟΤΕΡΗ ΑΝΤΙΣΙΔΗΡΟΜΑΓΝΗΤΙΚΗ ΣΥΖΕΥΞΗ ΚΑΘΩΣ ΤΟ LIGAND ΤΗΣ ΓΕΦΥΡΑΣ (ΔΙΘΕΙΟΦΟΥΜΑΡΙΚΟ ΟΞΥ, ΔΙΘΕΙΟΞΑΛΙΚΟ ΟΞΥ, S, O) ΦΕΡΝΕΙ ΤΑ ΔΥΟ ΚΕΝΤΡΑ ΧΑΛΚΟΥ ΠΛΗΣΙΕΣΤΕΡΑ ΜΕΤΑΞΥ ΤΟΥΣ."]},{"key":"dc:title","label":"Title","values":["ΚΒΑΝΤΟΧΗΜΙΚΗ ΚΑΙ ΠΕΙΡΑΜΑΤΙΚΗ ΜΕΛΕΤΗ ΤΗΣ ΔΟΜΗΣ ΚΑΙ ΤΩΝ ΦΑΙΝΟΜΕΝΩΝ ΥΠΕΡΑΝΤΑΛΛΑΓΗΣΔΙΚΕΝΤΡΙΚΩΝ D9:D9 ΜΑΓΝΗΤΙΚΩΝ ΣΥΣΤΗΜΑΤΩΝ ΜΕ ΓΕΦΥΡΕΣ ΕΚΤΕΤΑΜ...","QUANTUM CHEMICAL AND EXPERIMENTAL STUDY OF THE STRUCTURE AND THE MAGNETIC SUPEREXCHANGE PHENOMENA OCCURRING IN BINUCLEAR D9:D9 MAGNETIC SYSTEMS HAVING EXTENDED BIS(THIOCARBOXYLATE) ACIDS AS BRIDGING UNITS"]}]}],"canonical_facts":{"dc:creator":["Ακριβός, Περικλής","Akrivos, Periklis"],"dc:date":["1987"],"dc:description":["NINE COMPLEXES OF THE FORMULA [CU(AMINE)12(M-DTTA) CU(AMINE)12](CLO4)2 HAVE BEEN STUDIED WHERE DTTA=DITHIOTEREPHTHALIC ACID. THE SPECTROSCOPIC (IR, UV-VIS) AND EPR STUDIES VERIFIED THE LOCAL CHROMOPHORE STRUCTURES AS DISTORTED OCTAHEDRALOR DISTORTED SQUARE PLANAR ONES. MAGNETIC MEASUREMENTS ON TWO OF THE COMPOUNDSREVEAL A WEAK SUPEREXCHANGE PHENOMENON TO BE PROPAGATED THROUGH THE BRIDGE. THE MAGNITUDE OF THE SUPEREXCHANGE SEEMS TO BE CONTROLLED BY THE LOCAL CHROMOPHORE GEOMETRY. THE EHMO, QUANTUM CHEMICAL RESULTS FOR MODEL COMPLEXES, ARE IN ACCORDANCE WITH THE ABOVE OBSERVATION, NOT ONLY FOR DITHIOTEREPHTHALATE MODELS (WHERE THE CALCULATED ELECTRONIC TRANSITIONS AGREE WITH THE OBSERVED ONES), BUT FOROTHER CU(II) DIMER COMPOUNDS AS WELL. BASED ON SUCH QUANTUM CHEMICAL RESULTS, A TENDENCY FOR STRONGER ANTIFERROMAGNETIC COUPLING IS PREDICTED AS THE BRIDGINGLIGAND (DITHIOFUMARIC ACID, DITHOXALIC ACID, S,O) BRING THE TWO COPPER CENTERSCLOSER.","ΕΝΝΕΑ ΣΥΜΠΛΟΚΑ ΤΟΥ ΤΥΠΟΥ [CU(AMINE)12 (M-DTTA) CU(AMINE)12](CLO4)2 ΜΕΛΕΤΗΘΗΚΑΝ,ΟΠΟΥ DTTA=ΔΙΘΕΙΟΤΕΡΕΦΘΑΛΙΚΟ ΟΞΥ. ΟΙ ΦΑΣΜΑΤΟΣΚΟΠΙΚΕΣ ΜΕΤΡΗΣΕΙΣ (IR, ΟΙ ΜΕΤΡΗΣΕΙΣ EPR ΠΡΟΣΔΙΟΡΙΣΑΝ ΠΑΡΑΜΟΡΦΩΜΕΝΕΣ ΟΚΤΑΕΔΡΙΚΕΣ 'Η ΤΕΤΡΑΓΩΝΕΣ ΓΕΩΜΕΤΡΙΕΣ ΓΙΑ ΤΑ ΣΥΜΠΛΟΚΑ. ΜΑΓΝΗΤΙΚΕΣ ΜΕΤΡΗΣΕΙΣ ΣΕ ΔΥΟ ΑΠΟ ΤΑ ΣΥΜΠΟΛΚΑ ΕΜΦΑΝΙΣΑΝ ΑΣΘΕΝΗ ΣΥΖΕΥΞΗ ΤΩΝ SPIN ΠΟΥ ΠΡΟΩΘΕΙΤΑΙ ΜΕΣΑ ΑΠΟ ΤΟ ΜΟΡΙΟ ΤΗΣ ΓΕΦΥΡΑΣ. ΤΟ ΜΕΓΕΘΟΣ ΑΥΤΗΣ ΤΗΣ ΣΥΖΕΥΞΗΣ ΦΑΙΝΕΤΑΙ ΟΤΙ ΜΠΟΡΕΙ ΝΑ ΕΛΕΓΧΘΕΙ ΑΠΟ ΤΗΝ ΤΟΠΙΚΗ ΓΕΩΜΕΤΡΙΑ ΤΟΥ ΧΡΩΜΟΦΟΡΟΥ. ΤΑ ΚΒΑΝΤΟΧΗΜΙΚΑ ΑΠΟΤΕΛΕΣΜΑΤΑ EHMO ΠΑΝΩ ΣΕ ΜΟΝΤΕΛΑ ΣΥΜΠΛΟΚΩΝ, ΒΡΙΣΚΟΝΤΑΙ ΣΕ ΣΥΜΦΩΝΙΑ ΜΕ ΤΗΝ ΠΑΡΑΤΗΡΗΣΗ ΑΥΤΗ, ΟΧΙ ΜΟΝΟ ΓΙΑ ΣΥΜΠΛΟΚΑ ΤΟΥ ΔΙΘΕΙΟΤΕΡΕΦΘΑΛΙΚΟΥ ΟΞΕΟΣ (ΟΠΟΥ ΤΑ ΔΕΔΟΜΕΝΑ ΤΩΝ ΥΠΟΛΟΓΙΣΜΩΝ ΣΥΜΦΩΝΟΥΝ ΜΕ ΤΑ ΠΕΙΡΑΜΑΤΙΚΑ, ΟΣΟΝ ΑΦΟΡΑ ΤΙΣ ΗΛΕΚΤΡΟΝΙΚΕΣ ΔΙΕΡΓΑΣΙΕΣ), ΑΛΛΑ ΚΑΙ ΓΙΑ ΑΛΛΑ ΔΙΜΕΡΗ ΣΥΜΠΛΟΚΑ ΤΟΥ CU(II). ΜΕ ΒΑΣΗ ΤΑ ΥΠΟΛΟΓΙΣΤΙΚΑ ΔΕΔΟΜΕΝΑ, ΠΡΟΒΛΕΠΕΤΑΙ ΜΙΑ ΤΑΣΗ ΓΙΑ ΙΣΧΥΡΟΤΕΡΗ ΑΝΤΙΣΙΔΗΡΟΜΑΓΝΗΤΙΚΗ ΣΥΖΕΥΞΗ ΚΑΘΩΣ ΤΟ LIGAND ΤΗΣ ΓΕΦΥΡΑΣ (ΔΙΘΕΙΟΦΟΥΜΑΡΙΚΟ ΟΞΥ, ΔΙΘΕΙΟΞΑΛΙΚΟ ΟΞΥ, S, O) ΦΕΡΝΕΙ ΤΑ ΔΥΟ ΚΕΝΤΡΑ ΧΑΛΚΟΥ ΠΛΗΣΙΕΣΤΕΡΑ ΜΕΤΑΞΥ ΤΟΥΣ."],"dc:identifier":["10.12681/eadd/0503","http://hdl.handle.net/10442/hedi/0503"],"dc:language":["gre"],"dc:publisher":["Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ)","Aristotle University Of Thessaloniki (AUTH)"],"dc:subject":["BIMETALLIC {OR BINUCLEAR} COPPER COMPLEXES","BIVALENT COPPER COORDINATION COMPOUNDS","ELECTRONIC STRUCTURE","EXTENDED HUCKEL CALCULATIONS","MAGNETIC SUPEREXCHANGE","Quantum chemical calculations","ΔΙΚΕΝΤΡΙΚΑ ΣΥΜΠΛΟΚΑ ΧΑΛΚΟΥ","ΕΝΩΣΕΙΣ ΣΥΝΑΡΜΟΓΗΣ ΔΙΣΘΕΝΟΥΣ ΧΑΛΚΟΥ","Ηλεκτρονική δομή","Κβαντοχημικοί υπολογισμοί","ΜΑΓΝΗΤΙΚΗ ΥΠΕΡΑΝΤΑΛΛΑΓΗ","ΥΠΟΛΟΓΙΣΜΟΣ EXTENDED HUCKEL","Φυσικές Επιστήμες","Natural Sciences","Χημεία","Chemical Sciences"],"dc:title":["ΚΒΑΝΤΟΧΗΜΙΚΗ ΚΑΙ ΠΕΙΡΑΜΑΤΙΚΗ ΜΕΛΕΤΗ ΤΗΣ ΔΟΜΗΣ ΚΑΙ ΤΩΝ ΦΑΙΝΟΜΕΝΩΝ ΥΠΕΡΑΝΤΑΛΛΑΓΗΣΔΙΚΕΝΤΡΙΚΩΝ D9:D9 ΜΑΓΝΗΤΙΚΩΝ ΣΥΣΤΗΜΑΤΩΝ ΜΕ ΓΕΦΥΡΕΣ ΕΚΤΕΤΑΜ...","QUANTUM CHEMICAL AND EXPERIMENTAL STUDY OF THE STRUCTURE AND THE MAGNETIC SUPEREXCHANGE PHENOMENA OCCURRING IN BINUCLEAR D9:D9 MAGNETIC SYSTEMS HAVING EXTENDED BIS(THIOCARBOXYLATE) ACIDS AS BRIDGING UNITS"],"dc:type":["PhD Thesis"]},"updated_at":"2026-07-24T02:25:17Z"}