1,2,3-Dithiazolyl and 1,2,35-Dithiadiazolyl Radicals as Spin-Bearing ...

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3.3.1 1 H NMR Spectroscopy.............................................................................110 3.3.2 Mass Spectrometry...................................................................................112 3.3.3 Infrared Spectroscopy..............................................................................112 3.3.4 X-ray Crystallography.............................................................................114 3.3.5 Cyclic Voltametry....................................................................................116 3.4 Discussion............................................................................................................117 3.5 Conclusions and Future Work.............................................................................116 3.6 Experimental........................................................................................................124 3.7 References............................................................................................................125 4. The Polymorphism of Triphenylantimony Dichloride................................................126 4.1 General.................................................................................................................126 4.2 X-ray Crystallography.........................................................................................127 4.3 Discussion............................................................................................................128 4.4 Experimental........................................................................................................134 4.5 References............................................................................................................134 5. Partially Completed Projects.......................................................................................136 5.1 Overview..............................................................................................................136 5.2 TDA-BDTA.........................................................................................................136 5.2.1 General.....................................................................................................136 5.2.2 Synthesis..................................................................................................137 5.2.3 Infrared Spectroscopy..............................................................................141 5.2.4 X-ray Crystallography.............................................................................145 5.2.5 EPR Spectrscopy......................................................................................148 5.2.6 Conclusions and Future Work.................................................................150 viii
5.3 Reverse oDTANQ................................................................................................153 5.3.1 General.....................................................................................................153 5.3.2 Synthesis..................................................................................................154 5.3.3 Infrared Spectroscopy..............................................................................156 5.3.4 1 H NMR Spectroscopy.............................................................................160 5.3.5 Conclusions and Future Work.................................................................162 5.4 Dimer DTANQ........................................................................................164 5.4.1 General.....................................................................................................164 5.4.2 Synthesis..................................................................................................165 5.4.3 Infrared Spectroscopy..............................................................................167 5.4.4 1 H NMR Spectroscopy.............................................................................169 5.4.5 X-ray Crystallography.............................................................................172 5.4.6 Conclusions and Future Work.................................................................174 5.5 Experimental........................................................................................................176 5.6 References............................................................................................................182 Appendix: Compound Data Sheets.............................................................................184 ix
Page 1 and 2: 1,2,3-Dithiazolyl and 1,2,35-Dithia
Page 3 and 4: an individual binuclear coordinatio
Page 5 and 6: weren’t sure about something our
Page 7: 2.1 General........................
Page 11 and 12: LIST OF FIGURES AND SCHEMES Figure
Page 13 and 14: Figure 2-12. Magnetic susceptibilit
Page 15 and 16: GLOSSARY OF ABBREVIATIONS ° Degree
Page 17 and 18: K k k B LMCT ls LUMO Kelvin Exchang
Page 19 and 20: LIST OF STRUCTURES I-1 I-2 I-3 I-4
Page 21 and 22: I-16a I-16b I-16c I-16d I-16e I-16f
Page 23 and 24: I-22 I-23 I-24 I-25 exo I-26 endo x
Page 25 and 26: I-34 I-35 II-3 II-4 II-1 xxv
Page 27 and 28: III-2 III-1 III-3 III-4 III-5 III-6
Page 29 and 30: V-7 V-8 V-9 V-10 V-11 V-12 V-13 V-1
Page 31 and 32: Chapter 1 - General Introduction 1.
Page 33 and 34: linear relationship shown in Figure
Page 35 and 36: A plot of χT vs. T is an important
Page 37 and 38: examination of phenyl methylene. In
Page 39 and 40: different atomic nuclei. Qualitativ
Page 41 and 42: 3) 14 and a variety of thiazyl base
Page 43 and 44: with one another with an energy bar
Page 45 and 46: magnetic properties and undergoes a
Page 47 and 48: heteroatoms which could facilitate
Page 49 and 50: Figure 1-5. Qualitative molecular o
Page 51 and 52: temperature. 64 This was a very imp
Page 53 and 54: dimerization and therefore a quench
Page 55 and 56: e enough to overcome the energetica
Page 57 and 58: eaches the lower end of the investi
Page 59 and 60:
DTDAs has been to exploit the rearr
Page 61 and 62:
1.3.4 1,2,3-Dithiazolyl Radicals (I
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aromatic ring not only protects the
Page 65 and 66:
is quite similar to the spin-polari
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compound there are many competing m
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a b c d e Figure 1-16. a) Nonorthog
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would result in non-orthogonal over
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platinum center as well as the phos
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substantial amount of unpaired elec
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I-28 I-29 I-30 The metals manganese
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gave a combination of 2 mononuclear
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changes related to geometric, chemi
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Finally, the last chapter reviews t
Page 85 and 86:
(23) Rajca, A. Chem. Rev. 1994, 94,
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(53) Azuma, N.; Tsutsui, K.; Miura,
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(79) Decken, A.; Cameron, T. S.; Pa
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(102) Herz, R.; Leopold Cassella &
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(128) Aliaga-Alcalde, N., 2003. (12
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Chapter 2 - Structural and Magnetic
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2.2.2 pymDSDA Coordination Complexe
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2.2.3 DTDA Coordination Complexes o
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indicators tend to be very weak str
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In Figure 2-1a, the nickel complex
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2.2.3 Cyclic Voltametry The cyclic
Page 107 and 108:
propensity for intermolecular Se-N
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dimerization motif. One possible ex
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the bridging ligand such that the D
Page 113 and 114:
contacts into four different intera
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e acting as a closed-shell, S = 0,
Page 117 and 118:
2.3.4 [Zn(hfac) 2 ] 2·pymDTDA (II-
Page 119 and 120:
ancillary ligands and the nearly oc
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single molecular unit. Upon closer
Page 123 and 124:
across the entire temperature regim
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2.5 Conclusions and Future Work It
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therefore chain formation. However
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The work presented in this chapter
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736(s), 723(s), 646(s), 632(s), 469
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(0.2023 g, 1.104 mmol) in 30 mL of
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(6) Chattoraj, S. C.; Cupka Jr, A.
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Chapter 3 - 5-oxo-5H-naphtho[1,2-d]
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triethylammonium chloride which was
Page 141 and 142:
3.3.2 Mass Spectrometry A sample of
Page 143 and 144:
3.3.4 X-ray Crystallography Crystal
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a 2-fold screw axis across half of
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number of electrons that this compo
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often generated in situ although wa
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similar to compounds II-1 and II-2,
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3.6 Experimental General All reacti
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Chapter 4 - The Polymorphism of Tri
Page 157 and 158:
4.3 Discussion Prior to the discove
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(derived from angles ranging from 4
Page 161 and 162:
a b c Figure 4-2. Packing diagrams
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polymorphs observed and are therefo
Page 165 and 166:
Chapter 5 5.1 Overview There are se
Page 167 and 168:
success and so a Herz ring closure
Page 169 and 170:
did not immediately precipitate, bu
Page 171 and 172:
Figure 5-2 shows the IR spectra for
Page 173 and 174:
comparison of the infrared data obt
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discussed in section 5.2.2. As the
Page 177 and 178:
ing was formed. One of the nitrogen
Page 179 and 180:
equired to obtain a decent agreemen
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Considerations have been put toward
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chelation pocket is similar to that
Page 185 and 186:
the mixture was filtered to remove
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good spectroscopic handle for this
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spectrum from about 1900 to 400 cm
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doublets of triplets associated wit
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adical, followed by the closed-shel
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completely dry after being under va
Page 197 and 198:
changed substantially after the tra
Page 199 and 200:
The reaction to produce V-15 was qu
Page 201 and 202:
the proton two carbons away next to
Page 203 and 204:
which is parallel to the mean plane
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of the 1,2,3-DTA rings could act as
Page 207 and 208:
mixture was refluxed for 20 h yield
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the heat source was removed and the
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1085(w), 1059(w), 1008(w), 917(w),
Page 213 and 214:
___________________________________
Page 215 and 216:
Crystallography P 2 1 /c a = 9.1678
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Compound Name: 4-(2′-pyrimidyl)-1
Page 219 and 220:
Compound Name: [μ-4-(2′-pyrimidy
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Magnetometry 192
Page 223 and 224:
Crystallography P-1 a = 8.9576, b =
Page 225 and 226:
Compound Name: [μ-4-(2′-pyrimidy
Page 227 and 228:
Magnetometry: 198
Page 229 and 230:
Crystallography: P2 1 /n a = 19.884
Page 231 and 232:
Compound Name: 5-oxo-5H-naphtho[1,2
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204
Page 235 and 236:
206
Page 237 and 238:
MS (EI + ): 208
Page 239 and 240:
Compound Name: 5-chloro-1H-[1,2,5]t
Page 241 and 242:
Compound Name: 3-nitro-1,2-naphthaq
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Compound Name: 3,4-dioxo-3,4-dihydr
Page 245 and 246:
Compound Name: 4,5-dioxo-4,5-dihydr
Page 247 and 248:
Compound Name: 6,6′-dinitro-1,1
Page 249 and 250:
220
Page 251:
222
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1,2,3-Dithiazolyl and 1,2,35-Dithiadiazolyl Radicals as Spin-Bearing ...

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