408 results on '"Lelj, Francesco"'
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52. Tuning the Emission Lifetime in Bis-cyclometalated Iridium(III) Complexes Bearing Iminopyrene Ligands
53. Arilazione e trasposizione fotochimica di ariltiazoli
54. Fluorine Interactions in the 3D Packing of "Pt(IV)I2" Organometallic Molecular Materials: Structural and Computational Approaches.
55. Pyridine imines as ligands in luminescent iridium complexes
56. Role of Entropy and Autosolvation in Dimerization and Complexation of C60 by Zn7 Metallocavitands
57. Atropisomerism in a thermally switchable, cyclometallated iridium complex
58. Regioselectivity in the Nitration of Dialkoxybenzenes
59. Liaisons between photoconductivity and molecular frame in organometallic Pd(ii) and Pt(ii) complexes
60. Cyclometalated Pt(iv) trans-diiodo adducts: experimental and computational studies within an homologous series of compounds
61. Tandem Photoarylation–Photoisomerization of Halothiazoles: Synthesis, Photophysical and Singlet Oxygen Activation Properties of Ethyl 2‐Arylthiazole‐5‐carboxylates
62. Conformational preferences and self-association modes of two diastereomeric statine derivatives
63. Columnar Discotic Mesophases from Novel Non-symmetrically Substituted (Octylsulfanyl) Porphyrazines
64. Organometallic red-emitting chromophores: a computational and experimental study on cyclometallated Nile Red complexes of palladium(ii) and platinum(ii) acetylacetonates and hexafluoroacetylacetonates
65. Spectroscopy and electrochemical properties of a homologous series of acetylacetonato and hexafluoroacetylacetonato cyclopalladated and cycloplatinated complexes
66. Absorption Spectra of the Potential Photodynamic Therapy Photosensitizers Texaphyrins Complexes: A Theoretical Analysis
67. New Investigations of Geometric, Electronic, and Spectroscopic Properties of Tetrapyrrolic Macrocycles by a TD−DFT Approach. Carbon, Nitrogen, and Chalcogen (O, S, Se) Peripheral Substitution Effects on Ni(II) Porphyrazinato Complexes
68. Structural and new spectroscopic properties of neutral $$[\hbox{M(dmit)}_{\bf 2}] (\hbox{dmit} = \hbox{C}_{\bf 3} \hbox{S}_{\bf 5}^{\bf 2-}$$ , 1,3-dithiole-2-thione-4,5-dithiolate) and $$[\hbox{M}(\hbox{H}_{\bf 2}\hbox{timdt})_{\bf 2}](\hbox{H}_{\bf 2}\hbox{timdt} = \hbox{H}_{\bf 2} \hbox{C}_{\bf 3} \hbox{N}_{\bf 2} \hbox{S}_{\bf 3}^{\bf 1-}$$ , monoanion of imidazolidine-2,4,5-trithione) complexes within the density functional approach
69. Kinetic and Thermodynamic Aspects of the CT and T‐Shaped Adduct Formation Between 1,3‐Dimethylimidazoline‐2‐thione (or ‐2‐selone) and Halogens
70. Experimental and computational evidence of the intermolecular motifs in the crystal packing of luminescent pentacoordinated gallium(iii) complexes
71. Blue emitting pentacoordinated Al(iii) complexes based on 2-methylquinolin-8-olate and substituted phenolate ligands. The role of phenolate derivatives on emission and absorption properties
72. A Theoretical Investigation of the Donor Ability of [M(R,R′timdt)2] Dithiolene Complexes towards Molecular Diiodine (M = Ni, Pd, Pt; R,R′timdt = Formally Monoreduced Disubstituted Imidazolidine‐2,4,5‐trithione)
73. First ICN Adduct with a Selenium Donor (R = Se): Is It an Ionic [RSeCN] + I − or a “T‐Shaped” R(I)SeCN Hypervalent Compound?
74. Two-electron reduction of alkyl(sulfanyl)porphyrazines: a route to free-base and peripherally metallated asymmetric porphyrazines
75. Investigations on the electronic effects of the peripheral 4′-group on 5-(4′-substituted)phenylazo-8-hydroxyquinoline ligands: zinc and aluminium complexes
76. Ground and Excited States of [M(H2timdt)2] Neutral Dithiolenes (M = Ni, Pd, Pt; H2timdt = Monoanion of Imidazolidine-2,4,5-trithione): Description within TDDFT and Scalar Relativistic (ZORA) Approaches
77. Limits in the second-order response of [M(H2imXdt) (H2imYdt)] neutral complexes (M=Ni, Pd, Pt; H2imXdt=monoanion of imidazolidine-2-chalcogenone-4,5-dithione; X=O, S, Se; Y=O, S, Se; X≠Y): a pure theoretical study based on TD-DFT approach and ZORA formalism
78. NIR Dyes Based on [M(R,R′timdt) 2 ] Metal‐Dithiolenes: Additivity of M, R, and R′ Contributions To Tune the NIR Absorption (M = Ni, Pd, Pt; R,R′timdt = Monoreduced Form of Disubstituted Imidazolidine‐2,4,5‐trithione)
79. Optical non-linear properties of the [MXY] neutral mixed-ligand dithiolenes (M=Ni, Pd, Pt; X=R2timdt, dmit, mnt; Y=R2timdt, dmit, mnt; X≠Y). The role of coordinated metal, substituents and of high lying excited states
80. Role of methyl substitution on the spectroscopic properties of porphyrazines. A TDDFT study using pure and hybrid functionals on porphyrazine and its octamethyl derivative
81. Halogen Bond in (CH3)nX (X = N, P, n = 3; X = S, n = 2) and (CH3)nXO (X = N, P, n = 3; X = S, n = 2) Adducts with CF3I. Structural and Energy Analysis Including Relativistic Zero-Order Regular Approximation Approach in a Density Functional Theory Framework
82. Mechanistic Aspects of the Reaction between Br2 and Chalcogenone Donors (LE; E=S, Se): Competitive Formation of 10-E-3, T-Shaped 1:1 Molecular Adducts, Charge-Transfer Adducts, and [(LE)2]2+ Dications
83. Inducing asymmetry in free-base, MnIII, NiII and CuII (ethylsulfanyl)porphyrazines: synthetic aspects and spectro-electrochemical implications
84. The Mn(OESPz) (OESPz2- = 2,3,7,8,12,13,17,18-Octakis(ethylsulfanyl)- 5,10,15,20-tetraazaporphyrinato Dianion) Complex as an in Situ Regenerative Defluorinating Agent
85. Inter-ring interactions and peripheral tail effects on the discotic mesomorphism of ‘free-base’ and Co(ii), Ni(ii) and Cu(ii) alkenyl(sulfanyl) porphyrazines
86. Elucidating the Origin of Enhanced Phosphorescence Emission in the Solid State (EPESS) in Cyclometallated Iridium Complexes.
87. New (M(R,R'timdt)2) metal-dithiolenes and related compounds (M = Ni, Pd, Pt; R,R'timdt = monoanion of disubstituted imidazolidine-2,4,5-trithiones): an experimental and theoretical investigation
88. Synthesis, Spectro-Electrochemical Properties and Photoreaction with O2 of Lutetium Bis-ethyltetraazaporphyrin
89. Synthesis, Spectroscopy and Electrochemistry of Lanthanide Bis-(ethylsulfanyl)tetraazaporphyrins
90. Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione)
91. Formation, crystal structure and co-ordination chemistry of the [MnIII(oespz)(SH)] [oespz2− = 2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-tetraazaporphyrinate dianion] complex
92. A density functional study of bonding of water to copper and nickel atoms
93. Synthesis, characterization and reactivity of the bis[2,3,7,8,12,13,17,18-octakis(ethylthio)-5,10,15,20-tetraazaporphyrinato] zirconium(IV) complex
94. On the nature of the cobalt-nitrogen bond in the CON+2 complex. A theoretical study
95. Crystal structure of high-spin (S= 5/2) manganese(II) 2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-tetraazaporphyrinate
96. Synthesis, structure, magnetic, spectroscopic and electrochemical behaviour of chloro-iron(III) and -manganese(III) complexes of 2,3,7,8,12,13,17,18-octakis(ethylsulfanyl)-5,10,15,20-tetraazaporphyrin
97. Electrochemical synthesis of tetrakis[N-methylbenzothiazole-2(3H)-selone]selenium(2+) tetrafluroborate: an uncommon dication containing the mixed-valence Se5 framework
98. Stationary point structure and energetics: Density functional study including solvent effects on the tautomerization of formamide and 2-pyridone
99. Transition metal monocarbonyls in the first excited electronic state. A hybrid density functional study
100. Study of the nickel-based chemically modified electrode obtained by electrochemical deposition of an NiII-tetramethyl-dibenzo-tetraaza [14] annulene complex. Redox catalysis of carbohydrates in alkaline solutions. II
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