Professional Documents
Culture Documents
Короткий аналіз хімічних зв'язків.
Короткий аналіз хімічних зв'язків.
.
E-mail:bezvold@ukr.net .
= f (L) E = f (L) y = a + b/x + c/x
- ', , L ,
/.
' :
H3COH
Lc-o = 1,434
(6)
= 1
H2C=O
Lc-o = 1,206
(6)
= 2
CO
Lc-o = 1,12823
(7)
= 3
y = a + b/x + c/x2
X = 1/x
b1 = b + c/x1
Y = b1 + cX
c=
Y=
y y1
1 / x 1 / x 1
1 / xY 1 / x Y / n
1 / x 1 / x / n
2
b1= Y / n c 1 / x / n
n Y.
: y = na + b(1/x) + c(1/x2),
n = 3
1. = f(L) - '.
1/x
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y ()
6,28947368
9,37959905
1,43400
1,20600
1,12823
1
2
3
15.66907273
3.76823
x1 = 1,43400
y1= 1
(1/x) = 2,41288156
b = - 72,46498138
a = 26,03252883
(C-O) = 26,03252883
72,46498138 52,43899244
L
L2
:
HCOO - Na +
NH3+ CH2COO
2+
2CO3 K2 3H2O
CO 2- Ca 2 +
Lc-o = 1,27
(8)
(L=1,27 ) = 1,486
Lc-o = 1,26
(8)
(L=1,26 ) = 1,551
(9)
Lc-o = 1,29
.O
C .
O
= Lc-o = 1,162
(4)
, , ',
CO ' - 1,5, - 1,37,
2,5.
O
H2N
NH2
CN = 1,686
E = f(L) CO '.
' :
CO
Lc-o = 1,434
Ec-o = 351,708 /
(2)
C=O ( H2C=O)
Lc-o = 1,206
Ec-o = 686,668 /
(2)
CO
Lc-o = 1,12823
Ec-o = 1071,773 /
(7)
2. = f(L) - '.
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y (, /)
1,43400
1,20600
1,12823
351,708
686,668
1071,773
3.76823
2110.149
1/ x1 = 0,69735007
(1/x2) = 1,95945472
1/x
x1 = 1,43400
(1/x) = 2,41288156
y1= 351,708
c = 22207,04265404
b = -31359,17576343
- =11420,81052442
a = 11420,81052442
31359,17576343 22207,04265404
L
L2
:
E (L = 1,434 ) = 351,708 /
E (L = 1,206 ) = 686,668 /
E (L = 1,12823 ) = 1072,542 /
= Lc-o = 1,16213
(29)
. = 192 /
D = 127 / (11)
NH3
CH2COO
HCOOH
Lc-o = 1,26
Lc-o = 1,41
(L = 1,26 ) = 520,383 /
D ~ 90 / (4)
Lc-o = 1,434
D ~ 90 / (4)
Lc-o = 1,43
D ~ 90 / (4)
= 291,834 /
C=N
= 615,489 /
CN ( HCN)
= 866,709 /
' :
CH3NH2
(LC-N = 1,4714 )
(12)
HCN
(LCN = 1,157 )
(6)
C=N
(LC=N = 1,28 )
(14)
= f(L)
3. = f(L) -N '.
1/x
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
y ()
7,68756531
9,36005089
1,4714
1,2800
1,1570
1
2
3
17.04761620
3.9084
x1 = 1,4714
(1/x2) = 1,81926331
y = 1
(1/x) = 2,32517908
c = 11,91384503
b = -7,56455294
(C-N) = 0,63817306
:
+
LC
C(N3)3
SbCl6
+
LC
C(NH ) CO
2 3
x (L, )
a = 0,63817306
7,56455294 11,91384503
L
L2
= 1,34
(9)
(L = 1,34 ) = 1,628
= 1,34
(9)
(L = 1,34 ) = 1,628
O
H2N C NH2
LC
= 1,33
LC
= 1,27
(10)
LC
= 1,33
LC
= 1,71
(10)
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
1/x
x (L, )
y (, /)
1,4714
1,2800
1,1570
291,834
615,489
866,709
3.9084
1774.032
1/ x1 = 0,67962485
x1 = 1,4714
(1/x2) = 1,81926331
c = -866,48412671
y = 291,834
(1/x) = 2,32517908
b = 4450,61712191
E (C-N) =-2332,69568587
a = -2332,69568587
4450,61712191 866,48412671
L
L2
= 1
L = 1,818
(15)
H2C=S
= 2
L = 1,6108
(16)
CS
= 3
L = 1,53492
(7)
CS 3, CS, HCP, CP
(7), (17), (), S
' :
CS
Lc-s = 1,53492
D = 169,6 /
= 1285,08
= 6,46
CP
Lc-p = 1,5583
D = 122 /
= 1239,67
= 6,86
HCP
Lc-p = 1,5421
= 3216,9
Lc- = 1,0667
2 = 1278,4
3 = 674,7
5. = f(L) -S '.
1/x
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y ()
8,77413127
12,84442560
1,81800
1,61080
1,53492
1
2
3
21.61855688
4.96372
1/ x1 = 0,55005501
x1 = 1,81800
(1/x2) = 1,11241692
y = 1
(1/x) = 1,82236429
c = 181,87538814
b = -198,81807222
(C-S) =55,33256579
a = 55,33256579
198,81807222 181,87538814
L
L2
:
CS32 -
(9)
Lc-s = 1,71
S
H2N C NH2
LC
= 1,71
LC
= 1,33
(C-S) = 1,263
S=C=S
(10)
(C-N) = 1,686
Lc-s = 1,5529
(17)
L = 1,818
= 259,594 /
(2)
C=S
L = 1,6108
= 728,538 /
(2)
CS
L = 1,53492
= 709,606 /
(7)
6. = f(L) -S '.
1/x
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
1,81800
4114,57621622 1,61080
2890,07282747 1,53492
x1 = 1,81800
(1/x2) = 1,11241692
y (, /)
259,594
728,538
709,606
1697.738
y = 259,594
(1/x) = 1,82236429
c = -71414,57485742
b = 90244,55278987
E c-s =-27772,64385690
a = -27772,64385690
90244,55278987 71414,57485742
L
L2
:
SC=S
Lc-s = 1,5529
c-s = 128 /
(11)
= 160,781 /
(2)
N=N
= 418,000 /
(40)
NN
= 945,333 /
(18)
' :
H2NNH2
L = 1,4530
(26)
HN=NH
L = 1,2300
(27)
NN
L = 1,0976
(28)
= f(L)
7. = f(L) NN '.
1/x
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y ()
6,51569507
8,17670231
1,4530
1,2300
1,0976
1
2
3
14.69239737
3.7806
1/ x1 = 0,68823125
x1 = 1,4530
(1/x2) = 1,96470890
y = 1
(1/x) = 2,41231809
c = 9,79339013
b = -6,68791795
(N-N) = 0,96407492
a = 0,96407492
6,68791795 9,79339013
L
L2
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y (, /)
1,4530
1,2300
1,0976
160,781
418,000
945,333
3.7806
1524.114
1/ x1 = 0,68823125
x1 = 1,4530
(1/x2) = 1,96470890
y = 160,781
(1/x) = 2,41231809
c = 14878,53765631
b = -20274,81508318
E (N-N) =7067,14065437
a = 7067,14065437
20274,81508318 14878,53765631
L
L2
:
N2+
= 2,835,
L = 1,116 ,
= 846,001 /
= 843,26 /
(19)
= f(L) NO '.
' :
NH2 OH
LN
= 1,453
(20)
= 1
CH3 NO2
LN
= 1,224
(12)
= 1,5
LN
= 1,1507 (19)
NO
= 2,5
(20)
9. = f(L) N- '.
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
1/x
x1 = 1,4530
(1/x2) = 1,89636455
c = 84,79763896
x (L, )
y ()
3,17248908
7,20972544
1,4530
1,2240
1,1507
1,0
1,5
2,5
10.38221452
3.8277
5.0
y = 1,0
(1/x) = 2,37426095
b = -123,75637485
a = 46,00756377
(N-O) = 46,00756377
123,75637485 84,79763896
L
L2
N2O
(30)
NN = 1,1282
NO = 1,1843
L(NO) = 1,243
(31)
E = 221,900 /
(22)
N=O
= 607,086 /
(22)
NO
L = 1,15070
NO
L = 1,453
= 626,847 /
(NH2OH)
(19)
(20)
L N=O = 2 :
(N-O) = 46,00756377
2 = 46,00756377
123,75637485 84,79763896
L
L2
123,75637485 84,79763896
L
L2
9
N=O
= 2
L = 1,18208253
NO
L = 1,453
E = 221,900 /
N=O
L = 1,18208253
= 607,086 /
NO
L = 1,1507
= 626,847 /
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
1/x
x (L, )
y (, /)
1,45300000 221,900
0,84596462 0,71565614 2442,00695125 2065,85148606 1,18208253 607,086
0,86903624 0,75522398 2239,68925320 1946,37112471 1,15070000 626,847
1/ x1 = 0,68823125
x1 = 1,4530
(1/x2) = 1,94454237
y = 221,900
(1/x) = 2,40323211
c = -8769,11638979
b = 15895,54907490
E (N-O) =-6564,31416262
a = -6564,31416262
15895,54907490 8769,11638979
L
L2
:
CH3 NO2
LN
= 1,224
= f(L) CP '.
H2PCH3
Lcp = 1,858
(23)
(CH3 )3 P=CH2
Lc=p = 1,640
(24)
= 2
HCP
Lcp = 1,5421
(17), (25)
= 3
Lcp = 1,54
(25)
10
= 1
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
1/x
x (L, )
y ()
8,52293578
11,76321621
1,8580
1,6400
1,5421
1
2
3
20.28615199
5.0401
1/ x1 = 0,53821313
x1 = 1,8580
(1/x2) = 1,08198452
c = 107,52805439
y = 1
(1/x) = 1,79643561
b = -109,46128312
(C-P) = 28,76548555
a = 28,76548555
109,46128312 107,52805439
L
L2
- '.
' :
3
L- = 1,2717
(32)
L- = 1,20735
(33)
H22
L- = 1,452
(34)
' (35)
2 = 2
3 = 2 +
OO
(2)
- ' 1,5 :
3 = 2 +
107,110 /
2 = +
498,356 /
3 = + +
498,356 / + 107,110 /
1,5 O 1,5
',
- 1,5 = 302,733 /
11
302,733 =
(498,356 + 107,110)
2
HOOH
(-) = 1
.O. +_
.
...+ ._
+. _.+.
.O..
..O..
(-) = 1,5
...O ..O..
(-) = 2
H22
L- = 1,452
= 1
= 139,008 /
L- = 1,2717
= 1,5
= 302,733 /
L- = 1,20735
= 2
= 498,356 /
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
1/x
x1 = 1,452
(1/x2) = 1,77867464
c = 48,79304255
x (L, )
y ()
4,02662230
5,93500920
1,45200
1,27170
1,20735
1,0
1,5
2,0
9.96163149
3.93105
4.5
y = 1,0
(1/x) = 2,30331446
b = -66,85172754
(O-O) = 23,89786759
a = 23,89786759
66,85172754 48,79304255
L
L2
1/x
y y 1
1 / x y y 1
1 / x 1 / x 1
1 / x 1 / x 1
x (L, )
y (, /)
1,45200
1,27170
1,20735
139,008
302,733
498,356
3.93105
940.097
12
1/ x1 = 0,68870523
x1 = 1,452
(1/x2) = 1,77867464
(1/x) = 2,30331446
c = 21430,93279023
b = -29935,02909385
E (O-O) =10590,40848780
HCNO
y1= 139,008
a = 10590,40848780
29935,02909385 21430,93279023
L
L2
L C-H = 1,0266
(36)
L C-N = 1,1679
L N-O = 1,1994
....O...
H C N O
H C N
HNCO
HN=C=O
L H-N = 0,987
(36)
L N-C = 1,207
L C-O = 1,171
(L N-C = 1,207 ) = 2,549
(L C-O = 1,171 ) = 2,392
HNCS
L H-N = 0,988
(36)
HN=C=S
L N-C = 1,216
L C-S = 1,560
(L C-N = 1,216 ) = 2,475
(L C-S = 1,560 ) = 2,620
114
0,98
N1
N2
1,24
N1
N2 N3
N3
1,13
( ~ 1,65)
(37)
L N-N ~ 1,18
(37)
..N.
_
N2O
.N. ...
.. N.....O..
...
N O
NN = 1,1282
(30)
NO = 1,1843
(L N-N = 1,1282 ) = 2,730
(L N-O = 1,1843 ) = 1,969
.N+ _
+
..O._.+.. ..+.._O..+
..
.
_
NO2
N2O
.N ...
.. N.....O..
+_+
NN = 1,154
L N-O = 1,197
(38)
(NO) = 1,802
(30)
NO = 1,185
(L N-N = 1,154 ) = 2,523
(L N-O = 1,185 ) = 1,959
NO2
...O
..
N
.
..O... ....O..
..
..
.O..
L N-O = 1,200
NO = 1,236
(39)
(30)
(NO) = 1,765
14
.
1. . . , , 1973 , .143
( Structure and mechanism in organic chemistry. Second Edition, INGOLD C.
K., Cornell University press Ithaca and London, 1969).
2. . (1), .116.
3. .., .., .., .., ..
. . .
, , 1962 , .69-70.
4. Cottrell T.L. The Strengths of Chemical Bonds. Butterworths Scientific Publications, London,
1958.
5. . . , , 1967 , .141 (
Electrons and chemical Bonding, Harry B. Gray, New York, Amsterdam, 1965).
6. . (1), .140.
7. .., .., .. .
: . , , 1979 , .36.
8. . (1), .144.
9. . . , , 1988 , .3, .17 (
Structural inorganic chemictry, fifth Edition, Wells A. F. Clarendon Press, Oxford, 1986).
10. . (9), .17-18.
11. . (5), .117.
12. . (7), .416.
13. . (7), .367.
14. . . , , 1987 , .2, .566 (
Structural inorganic chemictry, fifth Edition, Wells A. F. Clarendon Press, Oxford, 1986).
15. . (7), .365.
16. . (7), .198.
17. . (7), .106.
18. . ., . ., . ., . ., . .,
. ., . . .
. , , 1974 , .97.
19. . (7), .42.
20. . (7), .312.
21. . (7), .216.
22. ., . . , , 1975
15
16