202
7 Molecular Structures from Gas-Phase Electron Diffraction
Kuchitsu K, Bartell LS (1961) Effects of anharmonicity of molecular vibrations on the diffraction
of electrons. II. Interpretation of experimental structural parameters. J Chem Phys 35:1945–1949
Kuchitsu K, Nakata M, Yamamoto S (1988) Joint use of electron diffraction and high-resolution
spectroscopic data for accurate determination of molecular. In: Hargittai I, Hargittai M (eds)
Stereochemical applications of gas-phase electron diffraction. Part A. The electron diffraction
experiment. VCH Publishers Inc, New York, pp 227–263
López JC, Peña MI, Sanz ME, Alonso JL (2007) Probing thymine with laser ablation molecular
beam Fourier transform microwave spectroscopy. J Chem Phys 126:191103/1–4
Mark H, Wierl R (1930) The determination of molecular structure by the diffraction of electrons
by a stream of vapor (in German). Z Elektrochem 36:675–676
Masters SL (2013) Gas phase structure of small molecules. Comp Inorg Chem II 9:89–109
Morino Y, Hirota E (1955) Mean amplitudes of thermal vibrations in polyatomic molecules. III.
The generalized mean amplitudes. J Chem Phys 23:737–747
Morino Y, Iijima T (1963) The distribution function of internal displacement coordinates in linear
XY 2 molecules. Bull Chem Soc Jpn 36:412–419
Morino Y, Nakamura Y, Iijima T (1960) Mean square amplitudes and force constants of tetrahedral
molecules. I. Carbon tetrachloride and germanium tetrachloride. J. Chem Phys 32:643–652
Morino Y, Nakamura J, Moore PW (1962) Shrinkage effect by thermal vibrations in linear-skeleton
molecules. J Chem Phys 36:1050–1056
Novikov VP, Vilkov LV (2000) Development of dynamic model in gas electron diffraction. Adv
Mol Struct Res 6:299–340
Pauling L, Brockway LO (1935) The radial distribution method of interpretation of electron
diffraction photographs of gas molecules. J Am Chem Soc 57:2684–2692
Samdal S (1994) The effect of large amplitude motion on the comparison of bond distances from
ab initio calculations and experimentally determined bond distances, and on root-mean-square
amplitudes of vibration, shrinkage, asymmetry constants, symmetry constraints, and inclusion of
rotational constants using the electron diffraction method. J Mol Struct 318:133–141
Sipachev VA (1985) Calculation of shrinkage corrections in harmonic approximation. J Mol Struct
(Theochem) 121:143–151
Sipachev VA (1999) Vibrational effects in diffraction and microwave experiments: a start on the
problem. Adv Mol Struct Res 5:263–311
Sipachev VA (2000) Anharmonic corrections to structural experiment data. Struct Chem 11:167–172
Sipachev VA (2001) Local centrifugal distortions caused by internal motions of molecules. J Mol
Struct 567–568:67–72
Spiridonov VP (1988) Spectroscopic information from electron diffraction. In: Hargittai I, Hargittai
M (eds) Stereochemical applications of gas-phase electron diffraction. Part A. The electron
diffraction technique. VCH Publisher Inc, New York, pp 265–299
Spiridonov VP, Gershikov AG, Zasorin EZ, Butayev BS (1981a) The determination of harmonic
potential functions from diffraction information. In: Hargittai I, Orville-Thomas WJ (eds)
Diffraction studies of non-crystalline substances. Akadémiai Kiadó, Budapest, pp 159–195
Spiridonov VP, Ischenko AA, Ivashkevich LS (1981b) A new intensity equation for electron
diffraction analysis: a barrier to pseudorotation in PF 5 from diffraction data. J Mol Struct
72:153–164
Spiridonov VP, Gershikov AG, Lytsarev VS (1990) Electron diffraction analysis of XY 2 and
XY 3 molecules with large amplitude motion. Part I. Dynamical model and molecular scattering
function. J Mol Struct 221:57–78
Spiridonov VP, Vogt N, Vogt J (2001) Determination of molecular structure in terms of potential
energy functions from gas-phase electron diffraction supplemented by other experimental and
computational data. Struct Chem 12:349–376
Srinivasan R, Lobastov VA, Ruan C-Y, Zewail AH (2003) Ultrafast electron diffraction (UED). A
new development for the 4D determination of transient molecular structures. Helv Chim Acta
86:1763–1838
7 Molecular Structures from Gas-Phase Electron Diffraction
Kuchitsu K, Bartell LS (1961) Effects of anharmonicity of molecular vibrations on the diffraction
of electrons. II. Interpretation of experimental structural parameters. J Chem Phys 35:1945–1949
Kuchitsu K, Nakata M, Yamamoto S (1988) Joint use of electron diffraction and high-resolution
spectroscopic data for accurate determination of molecular. In: Hargittai I, Hargittai M (eds)
Stereochemical applications of gas-phase electron diffraction. Part A. The electron diffraction
experiment. VCH Publishers Inc, New York, pp 227–263
López JC, Peña MI, Sanz ME, Alonso JL (2007) Probing thymine with laser ablation molecular
beam Fourier transform microwave spectroscopy. J Chem Phys 126:191103/1–4
Mark H, Wierl R (1930) The determination of molecular structure by the diffraction of electrons
by a stream of vapor (in German). Z Elektrochem 36:675–676
Masters SL (2013) Gas phase structure of small molecules. Comp Inorg Chem II 9:89–109
Morino Y, Hirota E (1955) Mean amplitudes of thermal vibrations in polyatomic molecules. III.
The generalized mean amplitudes. J Chem Phys 23:737–747
Morino Y, Iijima T (1963) The distribution function of internal displacement coordinates in linear
XY 2 molecules. Bull Chem Soc Jpn 36:412–419
Morino Y, Nakamura Y, Iijima T (1960) Mean square amplitudes and force constants of tetrahedral
molecules. I. Carbon tetrachloride and germanium tetrachloride. J. Chem Phys 32:643–652
Morino Y, Nakamura J, Moore PW (1962) Shrinkage effect by thermal vibrations in linear-skeleton
molecules. J Chem Phys 36:1050–1056
Novikov VP, Vilkov LV (2000) Development of dynamic model in gas electron diffraction. Adv
Mol Struct Res 6:299–340
Pauling L, Brockway LO (1935) The radial distribution method of interpretation of electron
diffraction photographs of gas molecules. J Am Chem Soc 57:2684–2692
Samdal S (1994) The effect of large amplitude motion on the comparison of bond distances from
ab initio calculations and experimentally determined bond distances, and on root-mean-square
amplitudes of vibration, shrinkage, asymmetry constants, symmetry constraints, and inclusion of
rotational constants using the electron diffraction method. J Mol Struct 318:133–141
Sipachev VA (1985) Calculation of shrinkage corrections in harmonic approximation. J Mol Struct
(Theochem) 121:143–151
Sipachev VA (1999) Vibrational effects in diffraction and microwave experiments: a start on the
problem. Adv Mol Struct Res 5:263–311
Sipachev VA (2000) Anharmonic corrections to structural experiment data. Struct Chem 11:167–172
Sipachev VA (2001) Local centrifugal distortions caused by internal motions of molecules. J Mol
Struct 567–568:67–72
Spiridonov VP (1988) Spectroscopic information from electron diffraction. In: Hargittai I, Hargittai
M (eds) Stereochemical applications of gas-phase electron diffraction. Part A. The electron
diffraction technique. VCH Publisher Inc, New York, pp 265–299
Spiridonov VP, Gershikov AG, Zasorin EZ, Butayev BS (1981a) The determination of harmonic
potential functions from diffraction information. In: Hargittai I, Orville-Thomas WJ (eds)
Diffraction studies of non-crystalline substances. Akadémiai Kiadó, Budapest, pp 159–195
Spiridonov VP, Ischenko AA, Ivashkevich LS (1981b) A new intensity equation for electron
diffraction analysis: a barrier to pseudorotation in PF 5 from diffraction data. J Mol Struct
72:153–164
Spiridonov VP, Gershikov AG, Lytsarev VS (1990) Electron diffraction analysis of XY 2 and
XY 3 molecules with large amplitude motion. Part I. Dynamical model and molecular scattering
function. J Mol Struct 221:57–78
Spiridonov VP, Vogt N, Vogt J (2001) Determination of molecular structure in terms of potential
energy functions from gas-phase electron diffraction supplemented by other experimental and
computational data. Struct Chem 12:349–376
Srinivasan R, Lobastov VA, Ruan C-Y, Zewail AH (2003) Ultrafast electron diffraction (UED). A
new development for the 4D determination of transient molecular structures. Helv Chim Acta
86:1763–1838