Erradio kobalente

Erradio kobalentea, lotura kobalente bat osatzen duten bi atomoen arteko distantziaren erdia da. Neurtzeko pikometroak eta Angstromak erabiltzen dira unitate gisa.

Lotura kobalentearen luzerak berau osatzen duten bi atomoen erradio kobalenteen batura izan behar luke, R(AB) = r(A) + r(B). Zentzu operazionalean, erradio kobalente ezberdinak ere defini daitezke, lotura bakuna, bikoitza ala hirukoitza den kontuan izanda (r1, r2 and r3 ondorengo taulan), Hala ere, erlazio hau ez da osoki zehatza, atomo baten erradioa ez baita beti berdina, ingurunearekiko dependentea baizik. A-B lotura heteroatomikoetan lotura ionikoarekin zerikusia duten osagaiak ere aurki litezke. Maiz, lotura kobalente polarra erradio kobalenteen batura baina motzagoa da. Beraz, taularatutako baloreak batez bestekoak eginda ala kasu idealetarako kalkulatutakoak dira.

Ohikoena, R(AB) loturen distantziak X-izpien difrakzio bitartez da; kasu bereziagoetan neutroi difrakzioa erabil daiteke kristal molekularretan neurketak egiteko. Errotaziozko-espektroskopiak ere emaitza oso zehatzak eman ohi ditu. A-A motako lotura homonuklearretan, erradio kobalentea elementuen arteko lotura bakunaren luzeraren erdia bezala definitu zuen Linus Pauling-ek; adib., R(H–H, H2-an) = 74.14 pm, beraz rkob(H) = 37.07 pm. Aldea txikia bada ere, ohikoena, konposatu kobalente ezberdinetan neurtutako balioen batez bestekoa hartzea da. Berriki Sanderson-ek [1] lotura kobalente ez polarren erradio sorta bat kaleratu badu ere, Cambridge Crystallographic Database [2]-ak eskaintzen duen lotura-distantzia bilduma zabalak erradio kobalentearen kontzeptua bera zaharkitu gisan utzi du.

Erradio kobalenteen taula

Esan bezala, bi atomo loturik izanda eta bi nukleoak ukitzen ari direlarik, nukleo hauen erradioa da gutxi gorabehera erradio kobalente bezala neurtzen dena.

Beheko taulako 3. erreferentziako datuak Cambridge Structural Database [3] -tik hartutako 228.000 datu experimental baino gehiagoren analisi estatistikotik atereak dira. Parentesi arteko zenbakiak neurriaren azken digituaren desbiazio estandarra dira. Datu hauek C, N eta O-re erradioak aurrez finkatuz lortuak izan dira.

Bestelako hurbilketa bat ere egin daiteke: doiketa auto-koherente bat burutzea molekula talde txikiagoetarako. Hau lotura bakun,[4]bikoitz [5]eta hirukoitzetarako[6] egin da, elementu oso-pisutsuak baino arinagoak diren elemendu guztientzat. Bai datu experimental bai simulazioen bitartez lortutakoak erabili dira. Lotura bakunetarako lortutako emaitzak Cordero et al.[3] -ek aurkeztutakoen antzekoak dira. Ezberdinak diren kasuetan, baliteke erabilitako koordinazio zenbakia ezberdina izana. Hau da kasua bereziki (d eta f) transizio metalen kasuan. Orokorrean r1 > r2 > r3 espero liteke, baina bestelakorik ere gerta liteke lotura ahul anitzetan, estekatzaileen arteko ezberdintasuna erabilitako datuetako R-en diferentzia baina handiagoa denean.

Z Symbol r (Å)[3] r1(Å)[4] r2(Å)[5] r3(Å) [6]
1 H 0.31(5) 0.32
2 He 0.28 0.46
3 Li 1.28(7) 1.33 1.24
4 Be 0.96(3) 1.02 0.90 0.85
5 B 0.84(3) 0.85 0.78 0.73
6 C (sp3) 0.76(1) 0.75
C (sp2) 0.73(2) 0.67
C (sp) 0.69(1) 0.60
7 N 0.71(1) 0.71 0.60 0.54
8 O 0.66(2) 0.63 0.57 0.53
9 F 0.57(3) 0.64 0.59 0.53
10 Ne 0.58 0.67 0.96
11 Na 1.66(9) 1.55 1.60
12 Mg 1.41(7) 1.39 1.32 1.27
13 Al 1.21(4) 1.26 1.13 1.11
14 Si 1.11(2) 1.16 1.07 1.02
15 P 1.07(3) 1.11 1.02 0.94
16 S 1.05(3) 1.03 0.94 0.95
17 Cl 1.02(4) 0.99 0.95 0.93
18 Ar 1.06(10) 0.96 1.07 0.96
19 K 2.03(12) 1.96 1.93
20 Ca 1.76(10) 1.71 1.47 1.33
21 Sc 1.70(7) 1.48 1.16 1.14
22 Ti 1.60(8) 1.36 1.17 1.08
23 V 1.53(8) 1.34 1.12 1.06
24 Cr 1.39(5) 1.22 1.11 1.03
25 Mn (low spin) 1.39(5)
Mn (high spin) 1.61(8)
Mn 1.19 1.05 1.03
26 Fe (low spin) 1.32(3)
Fe (high spin) 1.52(6)
Fe 1.16 1.09 1.02
27 Co (low spin) 1.26(3)
Co (high spin) 1.50(7)
Co 1.11 1.03 0.96
28 Ni 1.24(4) 1.10 1.01 1.01
29 Cu 1.32(4) 1.12 1.15 1.20
30 Zn 1.22(4) 1.18 1.20
31 Ga 1.22(3) 1.24 1.17 1.21
32 Ge 1.20(4) 1.21 1.11 1.14
33 As 1.19(4) 1.21 1.14 1.06
34 Se 1.20(4) 1.16 1.07 1.07
35 Br 1.20(3) 1.14 1.09 1.10
36 Kr 1.16(4) 1.17 1.21 1.08
37 Rb 2.20(9) 2.1 2.02
38 Sr 1.95(10) 1.85 1.57 1.39
39 Y 1.90(7) 1.63 1.3 1.24
40 Zr 1.75(7) 1.54 1.27 1.21
41 Nb 1.64(6) 1.47 1.25 1.16
42 Mo 1.54(5) 1.38 1.21 1.13
43 Tc 1.47(7) 1.28 1.2 1.1
44 Ru 1.46(7) 1.25 1.14 1.03
45 Rh 1.42(7) 1.25 1.1 1.06
46 Pd 1.39(6) 1.2 1.17 1.12
47 Ag 1.45(5) 1.28 1.39 1.37
48 Cd 1.44(9) 1.36 1.44
49 In 1.42(5) 1.42 1.36 1.46
50 Sn 1.39(4) 1.4 1.3 1.32
51 Sb 1.39(5) 1.4 1.33 1.27
52 Te 1.38(4) 1.36 1.28 1.21
53 I 1.39(3) 1.33 1.29 1.25
54 Xe 1.40(9) 1.31 1.35 1.22
55 Cs 2.44(11) 2.32 2.09
56 Ba 2.15(11) 1.96 1.61 1.49
57 La 2.07(8) 1.8 1.39 1.39
58 Ce 2.04(9) 1.63 1.37 1.31
59 Pr 2.03(7) 1.76 1.38 1.28
60 Nd 2.01(6) 1.74 1.37
61 Pm 1.99 1.73 1.35
62 Sm 1.98(8) 1.72 1.34
63 Eu 1.98(6) 1.68 1.34
64 Gd 1.96(6) 1.69 1.35 1.32
65 Tb 1.94(5) 1.68 1.35
66 Dy 1.92(7) 1.67 1.33
67 Ho 1.92(7) 1.66 1.33
68 Er 1.89(6) 1.65 1.33
69 Tm 1.90(10) 1.64 1.31
70 Yb 1.87(8) 1.7 1.29
71 Lu 1.87(8) 1.62 1.31 1.31
72 Hf 1.75(10) 1.52 1.28 1.22
73 Ta 1.70(8) 1.46 1.26 1.19
74 W 1.62(7) 1.37 1.2 1.15
75 Re 1.51(7) 1.31 1.19 1.1
76 Os 1.44(4) 1.29 1.16 1.09
77 Ir 1.41(6) 1.22 1.15 1.07
78 Pt 1.36(5) 1.23 1.12 1.1
79 Au 1.36(6) 1.24 1.21 1.23
80 Hg 1.32(5) 1.33 1.42
81 Tl 1.45(7) 1.44 1.42 1.5
82 Pb 1.46(5) 1.44 1.35 1.37
83 Bi 1.48(4) 1.51 1.41 1.35
84 Po 1.40(4) 1.45 1.35 1.29
85 At 1.50 1.47 1.38 1.38
86 Rn 1.50 1.42 1.45 1.33
87 Fr 2.60 2.23 2.18
88 Ra 2.21(2) 2.01 1.73 1.59
89 Ac 2.15 1.86 1.53 1.4
90 Th 2.06(6) 1.75 1.43 1.36
91 Pa 2.00 1.69 1.38 1.29
92 U 1.96(7) 1.7 1.34 1.18
93 Np 1.90(1) 1.71 1.36 1.16
94 Pu 1.87(1) 1.72 1.35
95 Am 1.80(6) 1.66 1.35
96 Cm 1.69(3) 1.66 1.36
97 Bk 1.66 1.39
98 Cf 1.68 1.4
99 Es 1.65 1.4
100 Fm 1.67
101 Md 1.73 1.39
102 No 1.76 1.59
103 Lr 1.61 1.41
104 Rf 1.57 1.4 1.31
105 Db 1.49 1.36 1.26
106 Sg 1.43 1.28 1.21
107 Bh 1.41 1.28 1.19
108 Hs 1.34 1.25 1.18
109 Mt 1.29 1.25 1.13
110 Ds 1.28 1.16 1.12
111 Rg 1.21 1.16 1.18
112 Cn 1.22 1.37 1.3
113 Uut 1.36
114 Uuq 1.43
115 Uup 1.62
116 Uuh 1.75
117 Uus 1.65
118 Uuo 1.57

Erreferentrziak

  1. ↑ Sanderson, R. T. (1983). "Electronegativity and Bond Energy." J. Am. Chem. Soc. 105:2259–61.
  2. ↑ Allen, F. H.; Kennard, O.; Watson, D. G.; Brammer, L.; Orpen, A. G.; Taylor, R. (1987). "Table of Bond Lengths Determined by X-Ray and Neutron Diffraction." J. Chem. Soc., Perkin Trans. 2 S1–S19.
  3. ↑ Beatriz Cordero, Verónica Gómez, Ana E. Platero-Prats, Marc Revés, Jorge Echeverría, Eduard Cremades, Flavia Barragán and Santiago Alvarez. Covalent radii revisited. Dalton Trans., 2008, 2832-2838, doi:10.1039/b801115j
  4. ↑ P. Pyykkö, M. Atsumi, Chem. Eur. J., 15, 2009,186-197 doi:10.1002/chem.200800987
  5. ↑ P. Pyykkö, M. Atsumi, Chem. Eur. J., 15, 2009,12770–12779 doi:10.1002/chem.200901472. Figure 3 of this paper contains all radii of refs. [4-6]. The mean-square deviation of each set is 3 pm.
  6. ↑ P. Pyykkö, S. Riedel, M. Patzschke, Chem. Eur. J., 11, 2005,3511–3520 doi:10.1002/chem.200401299

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