Accuracy

tetrabenzyl titanium   2891 Tetrabenzyl titanium

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    #  Species Formula
  2881 Ti(C5H5)2 D5dC10H10Ti
  2882 Bicyclopentadienyl dimethyl titaniumC12H16Ti
  2883 Ti(IV)C14 (LIKRAY) (Geo)C20H16Ti
  2884 Ti(IV)C14C20H16Ti
  2885 Titanium (neo-C5H11)4C20H44Ti
  2886 Bicyclopentadienyl biphenyl titaniumC22H20Ti
  2887 Ti(Cp)2(CH2C6H5)2C24H24Ti
  2888 Ti(Cp)2(m-Tol)2C24H24Ti
  2889 Ti(Cp)2(p-Tol)2C24H24Ti
  2890 Ti(IV)C13 (KORFIG) (Geo)C24H38Ti
  2891 Tetrabenzyl titanium C28H28Ti
  2892 Ti(CH2C6H5)4C28H28Ti
  2893 Ti(NH2)4 (Geo)H8N4Ti
  2894 Ti(NHMe)4 (Geo)C4H16N4Ti
  2895 Titanium tetra(diethylamine)C16H40N4Ti
  2896 Ti(II)(NH3)6H18N6Ti
  2897 Ti(II)(NH3)6 (Geo)H18N6Ti
  2898 Ti(III)(CN)6 2T2gC6N6Ti
  2899 Titanium monoxideOTi
  2900 Titanium dioxideO2Ti
  2901 Ti(Cp)2(OC6H5)2C22H20O2Ti


ΔHf: 111.7 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Tetrabenzyl titanium
 H=111.7 HR=NIST
 Ti     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.11643851 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.15356424 +1  116.4663433 +1    0.0000000 +0     1     2     0
  C     2.15290020 +1  108.4804185 +1  114.1772412 +1     1     2     3
  C     2.11510965 +1  106.1260851 +1 -120.3703703 +1     1     2     3
  C     1.47248353 +1   88.3827843 +1    3.0851110 +1     2     1     3
  C     1.47087178 +1  102.4163528 +1 -165.3366915 +1     3     1     2
  C     1.47265630 +1   88.8802202 +1 -117.3598013 +1     5     1     2
  C     1.47096484 +1  102.3155144 +1  -47.5043976 +1     4     1     2
  C     1.40637302 +1  120.4611361 +1   90.8211870 +1     9     4     1
  C     1.39098071 +1  120.5294753 +1 -178.6208446 +1    10     9     4
  C     1.39437400 +1  120.3632880 +1   -0.8979694 +1    11    10     9
  C     1.39343203 +1  119.5760164 +1   -0.9739999 +1    12    11    10
  C     1.40520530 +1  120.9634747 +1  -90.4746668 +1     9     4     1
  C     1.40981806 +1  120.8193681 +1  -90.1418167 +1     6     2     1
  C     1.39192132 +1  120.5195681 +1  178.4736184 +1    15     6     2
  C     1.39310779 +1  120.3704357 +1    0.9155799 +1    16    15     6
  C     1.39467374 +1  119.7380149 +1    1.3986445 +1    17    16    15
  C     1.41187176 +1  120.7388640 +1   91.4555421 +1     6     2     1
  C     1.40512841 +1  120.9638371 +1  -89.6725240 +1     7     3     1
  C     1.39191234 +1  120.5242214 +1  178.7374692 +1    20     7     3
  C     1.39331061 +1  120.3802687 +1    0.7388408 +1    21    20     7
  C     1.39458370 +1  119.5717436 +1    1.0317280 +1    22    21    20
  C     1.40642930 +1  120.4571576 +1   91.6203550 +1     7     3     1
  C     1.41147676 +1  120.7605458 +1   90.5337928 +1     8     5     1
  C     1.39102414 +1  120.4474052 +1 -178.8773513 +1    25     8     5
  C     1.39438876 +1  120.4055208 +1   -0.8519315 +1    26    25     8
  C     1.39330331 +1  119.7443484 +1   -1.3056927 +1    27    26    25
  C     1.40959391 +1  120.7853299 +1  -91.3255703 +1     8     5     1
  H     1.10457375 +1  116.5519851 +1 -114.7858616 +1     2     1     3
  H     1.10592265 +1  113.8008759 +1  120.3630786 +1     2     1     3
  H     1.11156087 +1  107.9033922 +1   74.1161889 +1     3     1     2
  H     1.10896555 +1  112.9453754 +1  -42.8621824 +1     3     1     2
  H     1.10934205 +1  112.5535090 +1   74.6251181 +1     4     1     2
  H     1.11104131 +1  108.4654551 +1 -168.3368710 +1     4     1     2
  H     1.10477856 +1  116.5020170 +1  124.5520520 +1     5     1     2
  H     1.10642043 +1  113.5378763 +1   -0.0199422 +1     5     1     2
  H     1.08851811 +1  119.8025001 +1    2.0804051 +1    10     9     4
  H     1.08815405 +1  119.8262013 +1  179.4331375 +1    11    10     9
  H     1.08584711 +1  120.1672237 +1  179.7712131 +1    12    11    10
  H     1.08831112 +1  119.8480312 +1 -178.5733557 +1    13    12    11
  H     1.08822386 +1  120.0176123 +1   -2.1465260 +1    14     9     4
  H     1.09434643 +1  120.2286034 +1   -3.6588006 +1    15     6     2
  H     1.08892922 +1  119.6301146 +1 -179.4802810 +1    16    15     6
  H     1.08687406 +1  120.1381132 +1 -179.2930351 +1    17    16    15
  H     1.08836318 +1  119.7971417 +1  178.2342548 +1    18    17    16
  H     1.09018862 +1  120.0182065 +1    3.1812370 +1    19     6     2
  H     1.08818145 +1  120.0476546 +1   -2.1627924 +1    20     7     3
  H     1.08830714 +1  119.7623153 +1 -179.5703719 +1    21    20     7
  H     1.08577226 +1  120.2547893 +1 -179.6577128 +1    22    21    20
  H     1.08816138 +1  119.7887154 +1  178.7032229 +1    23    22    21
  H     1.08848527 +1  119.7672095 +1    1.9603640 +1    24     7     3
  H     1.09031214 +1  120.0732886 +1    2.8237736 +1    25     8     5
  H     1.08830378 +1  119.7864426 +1  179.4821483 +1    26    25     8
  H     1.08682674 +1  120.1255283 +1  179.3911136 +1    27    26    25
  H     1.08881659 +1  119.9960200 +1 -178.3044411 +1    28    27    26
  H     1.09421669 +1  120.1495609 +1   -3.1518962 +1    29     8     5