A solution and solid state study of niobium complexes University of ...
A solution and solid state study of niobium complexes University of ... A solution and solid state study of niobium complexes University of ...
Appendix A O(5)-Nb(1)-O(4) 99.36 (11) O(6)-Nb(1)-O(4) 96.53 (11) O(5)-Nb(1)-O(1) 97.12 (10) O(6)-Nb(1)-O(1) 87.70 (10) O(4)-Nb(1)-O(1) 161.84 (10) O(5)-Nb(1)-O(3) 92.16 (10) O(6)-Nb(1)-O(3) 163.66 (10) O(4)-Nb(1)-O(3) 90.66 (11) O(1)-Nb(1)-O(3) 81.12 (10) O(5)-Nb(1)-O(2) 171.85 (10) O(6)-Nb(1)-O(2) 86.28 (10) O(4)-Nb(1)-O(2) 83.14 (11) O(1)-Nb(1)-O(2) 79.50 (10) O(3)-Nb(1)-O(2) 80.03 (10) O(1)-Nb(2)-O(9) 102.79 (11) O(1)-Nb(2)-O(10) 98.99 (12) O(9)-Nb(2)-O(10) 97.89 (13) O(1)-Nb(2)-O(5) #1 93.53 (10) O(9)-Nb(2)-O(5) #1 90.30 (10) O(10)-Nb(2)-O(5) #1 163.11 (12) O(1)-Nb(2)-O(7) 93.04 (10) O(9)-Nb(2)-O(7) 162.89 (11) O(10)-Nb(2)-O(7) 85.84 (12) O(5)#1-Nb(2)-O(7) 82.19 (10) O(1)-Nb(2)-O(8) 169.62 (10) O(9)-Nb(2)-O(8) 84.44 (12) O(10)-Nb(2)-O(8) 87.22 (12) O(5)#1-Nb(2)-O(8) 78.86 (10) O(7)-Nb(2)-O(8) 79.04 (11) C(18A)-C(17A)-O(10) 145.8 (8) C(18A)-C(17A)-H(17A) 100.4 O(10)-C(17A)-H(17A) 100.4 C(18A)-C(17A)-H(17B) 100.4 O(10)-C(17A)-H(17B) 100.4 H(17A)-C(17A)-H(17B) 104.3 C(18B)-C(17B)-O(10) 141.2 (10) C(18B)-C(17B)-H(17C) 101.7 O(10)-C(17B)-H(17C) 101.7 C(18B)-C(17B)-H(17D) 101.7 O(10)-C(17B)-H(17D) 101.7 H(17C)-C(17B)-H(17D) 104.7 C(17B)-C(18B)-H(18D) 109.5 C(17B)-C(18B)-H(18E) 109.5 H(18D)-C(18B)-H(18E) 109.5 C(17B)-C(18B)-H(18F) 109.5 H(18D)-C(18B)-H(18F) 109.5 105
Appendix A H(18E)-C(18B)-H(18F) 109.5 C(8)-C(9A)-H(9A1) 109.5 C(8)-C(9A)-H(9A2) 109.5 C(8)-C(9A)-H(9A3) 109.5 C(8)-C(9B)-H(9B1) 109.5 C(8)-C(9B)-H(9B2) 109.5 C(8)-C(9B)-H(9B3) 109.5 Symmetry transformations used to generate equivalent atoms: #1 -x+2,-y+1,-z+1 Table 2.4: Anisotropic displacement parameters (A 2 x 10 3 ) for [Nb(acac)(OEt)2(O)]4. The anisotropic displacement factor exponent takes the form: -2π 2 [h 2 a٭ 2 U 11 + … + 2hka٭b٭U 23 ]. Atom U 11 U 22 U 33 U 23 U 13 U 12 C(1) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1) C(2) 42 (2) 39 (2) 41 (2) 13 (2) 28 (2) 18 (2) C(3) 38 (2) 34 (2) 43 (2) 3 (2) 31 (2) 10 (1) C(4) 50 (3) 67 (3) 32 (2) 11 (2) 17 (2) 14 (2) C(5) 73 (3) 41 (2) 54 (3) 5 (2) 43 (3) 22 (2) C(6) 35 (2) 85 (4) 65 (3) -1 (3) 37 (2) -11 (2) C(7) 51 (3) 138 (6) 96 (5) -10 (4) 59 (3) 5 (3) C(8) 60 (2) 44 (2) 53 (2) -7 (2) 45 (2) -2 (2) C(10) 45 (2) 74 (3) 38 (2) -7 (2) 32 (2) -4 (2) C(11) 58 (2) 70 (3) 61 (3) -6 (2) 49 (2) -9 (2) C(12) 51 (2) 57 (2) 41 (2) -3 (2) 36 (2) -15 (2) C(13) 63 (3) 60 (3) 68 (3) -5 (2) 54 (3) 4 (2) C(14) 73 (3) 76 (4) 68 (3) -16 (3) 57 (3) -37 (3) C(15) 69 (3) 43 (2) 59 (3) -10 (2) 37 (3) -2 (2) C(16) 125 (6) 41 (3) 83 (4) -7 (3) 57 (5) -15 (3) O(1) 28 (1) 31 (1) 31 (1) 0 (1) 22 (1) -2 (1) O(2) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1) O(3) 33 (1) 31 (1) 32 (1) 2 (1) 24 (1) 7 (1) O(4) 28 (1) 42 (1) 37 (1) -2 (1) 24 (1) -5 (1) O(5) 24 (1) 31 (1) 26 (1) 1 (1) 17 (1) 0 (1) O(6) 34 (1) 29 (1) 34 (1) -3 (1) 25 (1) -1 (1) O(7) 37 (1) 41 (1) 39 (1) -7 (1) 30 (1) -7 (1) O(8) 49 (2) 41 (2) 48 (2) 6 (1) 38 (1) -5 (1) O(9) 35 (1) 27 (1) 41 (1) 2 (1) 23 (1) 5 (1) O(10) 44 (1) 56 (2) 28 (1) 4 (1) 21 (1) -2 (1) Nb(1) 19 (1) 24 (1) 24 (1) 0 (1) 15 (1) 0 (1) Nb(2) 25 (1) 30 (1) 24 (1) 3 (1) 16 (1) -1 (1) C(17A) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1) C(18A) 58 (2) 70 (3) 61 (3) -6 (2) 49 (2) -9 (2) C(17B) 44 (1) 56 (2) 28 (1) 4 (1) 21 (1) -2 (1) 106
- Page 65 and 66: Chapter 3 t1/2 = 54 = . 3.7 Sy
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- Page 69 and 70: 4. Crystallographic Synopsis... Cha
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- Page 73 and 74: Chapter 4 4.3 Crystal Structure of
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- Page 83 and 84: Chapter 4 Figure 4.11: Molecular st
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- Page 87 and 88: Chapter 4 Table 4.9: Hydrogen bonds
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- Page 99 and 100: 5.3.3 Derivation of the rate law Ch
- Page 101 and 102: Chapter 5 The Stopped-flow data (fa
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- Page 105 and 106: Chapter 5 However, more information
- Page 107 and 108: Chapter 6 second reaction entailed
- Page 109 and 110: Appendix A Table 1.3: Bond angles (
- Page 111 and 112: Appendix A A 2 Supplementary Data f
- Page 113 and 114: Appendix A C(16)-H(16B) 0.96 C(16)-
- Page 115: Appendix A O(7)-C(10)-C(11) 123.6 (
- Page 119 and 120: Appendix A H(18F) 6243 6605 575 75
- Page 121 and 122: Appendix A Table 3.3: Bond angles (
- Page 123 and 124: Appendix A Table 3.4: Anisotropic d
- Page 125: Appendix B Appendix B B 1 Supplemen
Appendix A<br />
H(18E)-C(18B)-H(18F) 109.5<br />
C(8)-C(9A)-H(9A1) 109.5<br />
C(8)-C(9A)-H(9A2) 109.5<br />
C(8)-C(9A)-H(9A3) 109.5<br />
C(8)-C(9B)-H(9B1) 109.5<br />
C(8)-C(9B)-H(9B2) 109.5<br />
C(8)-C(9B)-H(9B3) 109.5<br />
Symmetry transformations used to generate equivalent atoms: #1 -x+2,-y+1,-z+1<br />
Table 2.4: Anisotropic displacement parameters (A 2 x 10 3 ) for [Nb(acac)(OEt)2(O)]4.<br />
The anisotropic displacement factor exponent takes the form: -2π 2 [h 2 a٭ 2 U 11 + … +<br />
2hka٭b٭U 23 ].<br />
Atom U 11 U 22 U 33 U 23 U 13 U 12<br />
C(1) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1)<br />
C(2) 42 (2) 39 (2) 41 (2) 13 (2) 28 (2) 18 (2)<br />
C(3) 38 (2) 34 (2) 43 (2) 3 (2) 31 (2) 10 (1)<br />
C(4) 50 (3) 67 (3) 32 (2) 11 (2) 17 (2) 14 (2)<br />
C(5) 73 (3) 41 (2) 54 (3) 5 (2) 43 (3) 22 (2)<br />
C(6) 35 (2) 85 (4) 65 (3) -1 (3) 37 (2) -11 (2)<br />
C(7) 51 (3) 138 (6) 96 (5) -10 (4) 59 (3) 5 (3)<br />
C(8) 60 (2) 44 (2) 53 (2) -7 (2) 45 (2) -2 (2)<br />
C(10) 45 (2) 74 (3) 38 (2) -7 (2) 32 (2) -4 (2)<br />
C(11) 58 (2) 70 (3) 61 (3) -6 (2) 49 (2) -9 (2)<br />
C(12) 51 (2) 57 (2) 41 (2) -3 (2) 36 (2) -15 (2)<br />
C(13) 63 (3) 60 (3) 68 (3) -5 (2) 54 (3) 4 (2)<br />
C(14) 73 (3) 76 (4) 68 (3) -16 (3) 57 (3) -37 (3)<br />
C(15) 69 (3) 43 (2) 59 (3) -10 (2) 37 (3) -2 (2)<br />
C(16) 125 (6) 41 (3) 83 (4) -7 (3) 57 (5) -15 (3)<br />
O(1) 28 (1) 31 (1) 31 (1) 0 (1) 22 (1) -2 (1)<br />
O(2) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1)<br />
O(3) 33 (1) 31 (1) 32 (1) 2 (1) 24 (1) 7 (1)<br />
O(4) 28 (1) 42 (1) 37 (1) -2 (1) 24 (1) -5 (1)<br />
O(5) 24 (1) 31 (1) 26 (1) 1 (1) 17 (1) 0 (1)<br />
O(6) 34 (1) 29 (1) 34 (1) -3 (1) 25 (1) -1 (1)<br />
O(7) 37 (1) 41 (1) 39 (1) -7 (1) 30 (1) -7 (1)<br />
O(8) 49 (2) 41 (2) 48 (2) 6 (1) 38 (1) -5 (1)<br />
O(9) 35 (1) 27 (1) 41 (1) 2 (1) 23 (1) 5 (1)<br />
O(10) 44 (1) 56 (2) 28 (1) 4 (1) 21 (1) -2 (1)<br />
Nb(1) 19 (1) 24 (1) 24 (1) 0 (1) 15 (1) 0 (1)<br />
Nb(2) 25 (1) 30 (1) 24 (1) 3 (1) 16 (1) -1 (1)<br />
C(17A) 28 (1) 42 (1) 30 (1) 3 (1) 17 (1) 1 (1)<br />
C(18A) 58 (2) 70 (3) 61 (3) -6 (2) 49 (2) -9 (2)<br />
C(17B) 44 (1) 56 (2) 28 (1) 4 (1) 21 (1) -2 (1)<br />
106
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