Beta version#
BETA TEST VERSION OF THIS ITEM
This online calculator is currently under heavy development. It may or it may NOT work correctly.
You CAN try to use it. You CAN even get the proper results.
However, please VERIFY all results on your own, as the level of completion of this item is NOT CONFIRMED.
Feel free to send any ideas and comments !
This online calculator is currently under heavy development. It may or it may NOT work correctly.
You CAN try to use it. You CAN even get the proper results.
However, please VERIFY all results on your own, as the level of completion of this item is NOT CONFIRMED.
Feel free to send any ideas and comments !
Settings#
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alcohols#
Substance | Molecular formula | Bond lengths [pm] |
ethanol | C2H5OH | C-C : 151.2 pm C-O : 143.1 pm O-H : 97.1 pm C-H : 110 pm |
methanol | CH3OH | C-H : 109.4 pm C-O : 142.5 pm O-H : 94.5 pm |
liquids#
Substance | Molecular formula | Bond lengths [pm] |
ethanol | C2H5OH | C-C : 151.2 pm C-O : 143.1 pm O-H : 97.1 pm C-H : 110 pm |
water 20°C | H2O | O-H : 95.75 pm |
cyclohexane | C6H12 | C-H : 111.9 pm C-C : 153.6 pm |
bromine fluoride | BF3 | B-F : 131.3 pm |
methanol | CH3OH | C-H : 109.4 pm C-O : 142.5 pm O-H : 94.5 pm |
phenol | C6H5OH | C-C : 139.7 pm C-O : 136.4 pm O-H : 95.6 pm C-H : 108.2 pm |
formic acid | HCOOH | C=O : 120.2 pm C-O : 134.3 pm C-H : 109.7 pm O-H : 97.2 pm |
methylamine | CH3NH2 | N-H : 101 pm C-H : 109.9 pm C-N : 147.1 pm |
phenylamine (aniline) | C6H5NH2 | C-C : 139.2 pm N-H : 99.8 pm C-N : 143.1 pm |
decalin | C10H18 | C-C : 153 pm C-H : 111.3 pm |
benzene | C6H6 | C-C : 139.9 pm C-H : 110.1 pm |
toluene | C6H5CH3 | C-C : 139.9 pm C-CH3 : 152.4 pm C-H : 111 pm |
chloroform | CHCl3 | C-H : 110 pm C-Cl : 175.8 pm |
bromoform | CHBr3 | C-Br : 192.4 pm C-H : 111 pm |
chlorobenzene | C6H5Cl | C-H : 108.3 pm C-Cl : 173.7 pm C-C : 140 pm |
2-chloroetanol | ClCH2CHOH | C-Cl : 180.1 pm C-H : 109.3 pm O-H : 103.3 pm |
tetrachloromethane | CCl4 | C-Cl : 176.7 pm |
freon-11 | CCl3F | C-Cl : 175.4 pm |
tetrabromomethane | CBr4 | C-Br : 193.5 pm |
hydrogen peroxide | H2O2 | O-O : 147.5 pm |
phosphorus trichloride | PCl3 | P-Cl : 203.9 pm |
acetaldehyde | CH3CHO | C-C : 151.5 pm C=O : 121 pm H-CH2 : 110.7 pm H-CO : 112.8 pm C-C : 151.5 pm |
other inorganic#
Substance | Molecular formula | Bond lengths [pm] |
ammonia | NH3 | N-H : 101.2 pm |
bromine fluoride | BF3 | B-F : 131.3 pm |
phosphorus trichloride | PCl3 | P-Cl : 203.9 pm |
phosphine | PH3 | P-H : 142 pm |
white phosphorus | P4 | P-P : 221 pm |
sulfur | S2 | S=S : 188.92 pm |
sulfur | S8 | S-S : 207 pm |
selenium | Se2 | Se=Se : 216.6 pm |
gases#
Substance | Molecular formula | Bond lengths [pm] |
ammonia | NH3 | N-H : 101.2 pm |
methane | CH4 | C-H : 108.7 pm |
nitrogen | N2 | N≡N : 109.77 pm |
carbon dioxide | CO2 | C=O : 116 pm |
sulfur (II) oxide | SO | S=O : 148.11 pm |
xenon) oxide | XeO4 | Xe=O : 173.6 pm |
dichlorine monoxide | Cl2O | Cl-O : 169.59 pm |
hydrogen chloride | HCl | H-Cl : 127.46 pm |
hydrogen cyanide | HCN | H-CN : 106.55 pm |
hydrogen fluoride | HF | H-F : 91.69 pm |
hydrogen jodide | HI | H-I : 160.9 pm |
hydrogen sulfuride | H2S | H-S : 133.56 pm |
ethane | C2H6 | C-C : 153.5 pm C-H : 109.4 pm |
n-buthane | C4H10 | C-C : 153.1 pm C-H : 111.7 pm |
cyclobutane | C4H8 | C-H : 111.3 pm C-C : 155.5 pm |
trans-but-2-en | CH3CHCHCH3 | C-C : 150.8 pm C=C : 134.6 pm |
butan-1,3-diene | CH2CHCHCH2 | C-C : 146.7 pm C=C : 134.9 pm C-H : 110.8 pm |
but-2-yne | CH3CCCH3 | C-C : 146.8 pm C≡C : 121.4 pm C-H : 111.6 pm |
ethene (ethylene) | C2H4 | C=C : 133.9 pm C-H : 108.7 pm |
ethyne | C2H2 | C-H : 106 pm C≡C : 120.3 pm |
chloroethyne | CHCCl | C-H : 105.5 pm C-Cl : 163.7 pm C≡C : 120.3 pm |
nitrogen (II) oxide | NO | N=O : 115.06 pm |
phosphine | PH3 | P-H : 142 pm |
sulfur (IV) oxide | SO2 | S=O : 143.08 pm |
sulfur (VI) oxide | SO3 | S=O : 141.98 pm |
chlorine | Cl2 | Cl-Cl : 198.78 pm |
hydrogen | H2 | H-H : 74.114 pm |
oxygen | O2 | O=O : 120.74 pm |
hydrocarbons#
Substance | Molecular formula | Bond lengths [pm] |
methane | CH4 | C-H : 108.7 pm |
cyclohexane | C6H12 | C-H : 111.9 pm C-C : 153.6 pm |
ethane | C2H6 | C-C : 153.5 pm C-H : 109.4 pm |
n-buthane | C4H10 | C-C : 153.1 pm C-H : 111.7 pm |
cyclobutane | C4H8 | C-H : 111.3 pm C-C : 155.5 pm |
decalin | C10H18 | C-C : 153 pm C-H : 111.3 pm |
trans-but-2-en | CH3CHCHCH3 | C-C : 150.8 pm C=C : 134.6 pm |
butan-1,3-diene | CH2CHCHCH2 | C-C : 146.7 pm C=C : 134.9 pm C-H : 110.8 pm |
but-2-yne | CH3CCCH3 | C-C : 146.8 pm C≡C : 121.4 pm C-H : 111.6 pm |
ethene (ethylene) | C2H4 | C=C : 133.9 pm C-H : 108.7 pm |
ethyne | C2H2 | C-H : 106 pm C≡C : 120.3 pm |
benzene | C6H6 | C-C : 139.9 pm C-H : 110.1 pm |
toluene | C6H5CH3 | C-C : 139.9 pm C-CH3 : 152.4 pm C-H : 111 pm |
oxides#
Substance | Molecular formula | Bond lengths [pm] |
carbon dioxide | CO2 | C=O : 116 pm |
sulfur (II) oxide | SO | S=O : 148.11 pm |
xenon) oxide | XeO4 | Xe=O : 173.6 pm |
strontium oxide | SrO | Sr=O : 191.98 pm |
carbon monoxide | CO | C=O : 112.83 pm |
dichlorine monoxide | Cl2O | Cl-O : 169.59 pm |
hydrogen peroxide | H2O2 | O-O : 147.5 pm |
nitrogen (II) oxide | NO | N=O : 115.06 pm |
sulfur (IV) oxide | SO2 | S=O : 143.08 pm |
sulfur (VI) oxide | SO3 | S=O : 141.98 pm |
barium oxide | BaO | Ba-O : 193.97 pm |
salts#
Substance | Molecular formula | Bond lengths [pm] |
arsenic chloride | AsCl3 | As-Cl : 216.5 pm |
potassium bromide | KBr | K-Br : 282.08 pm |
potassium chloride | KCl | K-Cl : 266.67 pm |
silver bromide | AgBr | Ag-Br : 239.31 pm |
silver fluoride | AgF | Ag-F : 198.32 pm |
silver chloride | AgCl | Ag-Cl : 228.08 pm |
bismuth (III) chloride | BiCl3 | Bi-Cl : 242.3 pm |
germanium chloride | GeCl4 | Ge-Cl : 211.3 pm |
tin (IV) chloride | SnCl4 | Sn-Cl : 228 pm |
zirconium (IV) chloride | ZrCl4 | Zr-Cl : 232 pm |
ammonium chloride | NH4Cl | N-H : 122 pm |
sodium chloride | NaCl | Na-Cl : 236.09 pm |
sodium bromide | NaBr | Na-Br : 250.2 pm |
sodium iodide | NaI | Na-I : 271.15 pm |
hydrides#
Substance | Molecular formula | Bond lengths [pm] |
arsenic hydride | AsH3 | As-H : 151.1 pm |
potassium hydride | KH | K-H : 224.4 pm |
silver hydride | AgH | Ag-H : 161.7 pm |
cesium hydride | CsH | Cs-H : 249.38 pm |
silicon hydride (silan) | SiH4 | Si-H : 147.98 pm |
inorganic acids#
Substance | Molecular formula | Bond lengths [pm] |
hydrogen bromide | HBr | H-Br : 141.45 pm |
hydrogen chloride | HCl | H-Cl : 127.46 pm |
hydrogen cyanide | HCN | H-CN : 106.55 pm |
hydrogen fluoride | HF | H-F : 91.69 pm |
hydrogen jodide | HI | H-I : 160.9 pm |
hydrogen sulfuride | H2S | H-S : 133.56 pm |
nitrous (III) acid | HNO2 | N-O : 143.2 pm |
nitrous (V) acid | HNO3 | O-H : 141 pm |
phenols#
Substance | Molecular formula | Bond lengths [pm] |
phenol | C6H5OH | C-C : 139.7 pm C-O : 136.4 pm O-H : 95.6 pm C-H : 108.2 pm |
carboxylic acids#
Substance | Molecular formula | Bond lengths [pm] |
formic acid | HCOOH | C=O : 120.2 pm C-O : 134.3 pm C-H : 109.7 pm O-H : 97.2 pm |
amines#
Substance | Molecular formula | Bond lengths [pm] |
methylamine | CH3NH2 | N-H : 101 pm C-H : 109.9 pm C-N : 147.1 pm |
phenylamine (aniline) | C6H5NH2 | C-C : 139.2 pm N-H : 99.8 pm C-N : 143.1 pm |
other organic#
Substance | Molecular formula | Bond lengths [pm] |
chloroform | CHCl3 | C-H : 110 pm C-Cl : 175.8 pm |
bromoform | CHBr3 | C-Br : 192.4 pm C-H : 111 pm |
chlorobenzene | C6H5Cl | C-H : 108.3 pm C-Cl : 173.7 pm C-C : 140 pm |
2-chloroetanol | ClCH2CHOH | C-Cl : 180.1 pm C-H : 109.3 pm O-H : 103.3 pm |
tetrachloromethane | CCl4 | C-Cl : 176.7 pm |
freon-11 | CCl3F | C-Cl : 175.4 pm |
freon-13 | CClF3 | C-Cl : 175.2 pm |
tetrabromomethane | CBr4 | C-Br : 193.5 pm |
chloroethyne | CHCCl | C-H : 105.5 pm C-Cl : 163.7 pm C≡C : 120.3 pm |
oxiran | (CH2CH2)O | C-C : 146.6 pm C-H : 108.5 pm C-O : 143.1 pm |
acetaldehyde | CH3CHO | C-C : 151.5 pm C=O : 121 pm H-CH2 : 110.7 pm H-CO : 112.8 pm C-C : 151.5 pm |
hydroxides#
Substance | Molecular formula | Bond lengths [pm] |
potassium hydroxide | KOH | O-H : 91 pm |
halogens#
Substance | Molecular formula | Bond lengths [pm] |
chlorine | Cl2 | Cl-Cl : 198.78 pm |
silans#
Substance | Molecular formula | Bond lengths [pm] |
silicon hydride (silan) | SiH4 | Si-H : 147.98 pm |
Some facts#
- When we say about bond length in the molecule we get in mind the distance between atomic nuclei.
- In real world, distance beetwen atoms are not constant, because atoms in mocelules are in constant motion. Effectively bonds are in longer-shorter cycle, oscillating around some particular length.
- In general, the length of the bonds is a property of a whole molecule. It means, that the distance between the same pair of atoms (e.g., C-H) may vary depending on which compound we are dealing with.
- Experimental methods that allow to study the bond lengths in molecules include:
- X-ray diffraction of solids - uses X-ray diffraction during contact with the electron cloud, allows to experimentally determine the structure (geometry) of solids (crystals),
- low-energy electron diffraction (LEED) - is a bombardment of the crystal surface (solid body) with a beam of low energy electrons (20-200 eV) and observation of their diffraction on a fluorescent screen,
- spectroscopic methods - measuring the absorbance (degree of absorption) of electromagnetic waves at a fixed frequency during contact with the test substance.
- X-ray diffraction of solids - uses X-ray diffraction during contact with the electron cloud, allows to experimentally determine the structure (geometry) of solids (crystals),
- The lengths of bonds can also be determined theoretically by quantum chemistry methods. These calculations consist in finding the position of atomic nuclei for which potential energy of the whole molecule reaches the minimum. Such a procedure is called geometry optimization.
- Mathematical optimization of geometry is searching for the minimum of many variables function:
where:
- E - energy of a molecule at a given position of atomic nuclei,
- - position of i-th atom.
- E - energy of a molecule at a given position of atomic nuclei,
- The quality of results obtained during geometry optimization depends on the method of calculating energy in given point. The methods currently used during routine calculations are:
- Hertree-Fock based - solving the Schroedinger equation using a variation method with a test function in the form of one Slater determinant,
- density functional theory (DFT).
- Hertree-Fock based - solving the Schroedinger equation using a variation method with a test function in the form of one Slater determinant,
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