Research Article
Synthesis of New Zirconium(IV) Complexes with Amino Acid Schiff Bases: Spectral, Molecular Modeling, and Fluorescence Studies
Table 1
Various Bond Lengths of Compound [Zr(L4)2Cl2].
| S. No. | Atoms | Actual (Å) | Optimal (Å) |
| 1 | Zr(4)-N(3) | 2.1381 | | 2 | C(41)-H(66) | 1.1131 | 1.113 | 3 | C(41)-H(65) | 1.1126 | 1.113 | 4 | C(39)-H(64) | 1.1137 | 1.113 | 5 | C(39)-H(63) | 1.1153 | 1.113 | 6 | C(38)-H(62) | 1.1125 | 1.113 | 7 | C(38)-H(61) | 1.1135 | 1.113 | 8 | C(38)-H(60) | 1.1127 | 1.113 | 9 | C(36)-H(59) | 1.1132 | 1.113 | 10 | C(36)-H(58) | 1.1141 | 1.113 | 11 | C(35)-H(57) | 1.1142 | 1.113 | 12 | C(35)-H(56) | 1.1132 | 1.113 | 13 | C(34)-H(55) | 1.0939 | 1.1 | 14 | C(33)-H(54) | 1.1023 | 1.1 | 15 | C(32)-H(53) | 1.1023 | 1.1 | 16 | C(31)-H(52) | 1.1016 | 1.1 | 17 | N(27)-H(51) | 1.0444 | 1.05 | 18 | C(25)-H(50) | 1.1159 | 1.113 | 19 | C(25)-H(49) | 1.1146 | 1.113 | 20 | C(24)-H(48) | 1.1012 | 1.1 | 21 | C(23)-H(47) | 1.1061 | 1.1 | 22 | C(22)-H(46) | 1.1049 | 1.1 | 23 | C(21)-H(45) | 1.1012 | 1.1 | 24 | N(17)-H(44) | 1.0446 | 1.05 | 25 | C(8)-H(43) | 1.1138 | 1.113 | 26 | C(2)-H(42) | 1.1165 | 1.113 | 27 | S(40)-C(41) | 1.8167 | 1.815 | 28 | C(39)-S(40) | 1.8236 | 1.815 | 29 | C(25)-C(39) | 1.5388 | 1.523 | 30 | S(37)-C(38) | 1.8142 | 1.815 | 31 | C(36)-S(37) | 1.8255 | 1.815 | 32 | C(35)-C(36) | 1.5393 | 1.523 | 33 | N(9)-Zr(4) | 2.1345 | | 34 | Zr(4)-O(5) | 2.0916 | | 35 | C(2)-C(35) | 1.5486 | 1.523 | 36 | C(34)-C(29) | 1.4014 | 1.42 | 37 | C(33)-C(34) | 1.3978 | 1.42 | 38 | C(32)-C(33) | 1.3994 | 1.42 | 39 | C(31)-C(32) | 1.3929 | 1.42 | 40 | C(28)-C(31) | 1.3971 | 1.42 | 41 | C(26)-O(30) | 1.2293 | 1.208 | 42 | C(29)-C(15) | 1.4774 | 1.503 | 43 | C(28)-C(29) | 1.4077 | 1.42 | 44 | N(27)-C(28) | 1.3928 | 1.462 | 45 | C(26)-N(27) | 1.3678 | 1.462 | 46 | C(15)-C(26) | 1.5141 | 1.517 | 47 | C(8)-C(25) | 1.5398 | 1.523 | 48 | C(24)-C(19) | 1.4832 | 1.42 | 49 | C(23)-C(24) | 1.5134 | 1.42 | 50 | C(22)-C(23) | 1.5149 | 1.42 | 51 | C(21)-C(22) | 1.5092 | 1.42 | 52 | C(18)-C(21) | 1.4845 | 1.42 | 53 | C(16)-O(20) | 1.3098 | 1.208 | 54 | C(19)-C(14) | 1.5193 | 1.503 | 55 | C(18)-C(19) | 1.374 | 1.42 | 56 | N(17)-C(18) | 1.3476 | 1.462 | 57 | C(16)-N(17) | 1.3903 | 1.462 | 58 | C(14)-C(16) | 1.5503 | 1.517 | 59 | N(3)-C(15) | 1.2988 | 1.26 | 60 | N(9)-C(14) | 2.1882 | 1.26 | 61 | C(1)-O(13) | 1.2142 | 1.208 | 62 | C(7)-O(12) | 1.2117 | 1.208 | 63 | Zr(4)-Cl(11) | 2.4423 | | 64 | Zr(4)-Cl(10) | 2.4453 | | 65 | C(8)-N(9) | 1.4968 | 1.47 | 66 | C(7)-C(8) | 1.5279 | 1.509 | 67 | O(6)-C(7) | 1.3594 | 1.338 | 68 | C(41)-H(67) | 1.1129 | 1.113 | 69 | O(5)-C(1) | 1.3551 | 1.338 | 70 | Zr(4)-O(6) | 2.0914 | | 71 | C(2)-N(3) | 1.5032 | 1.47 | 72 | C(1)-C(2) | 1.5292 | 1.509 |
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