Theoretical electronic plus vibrational investigation of some hydrogen‐bonded complexes. I. Stretching cubic and quartic force constants of FH⋅⋅⋅OH2

Y. Bouteiller; M. Allavena; J. M. Leclercq

doi:10.1063/1.440454

Theoretical electronic plus vibrational investigation of some hydrogen‐bonded complexes. I. Stretching cubic and quartic force constants of FH⋅⋅⋅OH2

The Journal of Chemical Physics ◽

10.1063/1.440454 ◽

1980 ◽

Vol 73 (6) ◽

pp. 2851-2857 ◽

Cited By ~ 27

Author(s):

Y. Bouteiller ◽

M. Allavena ◽

J. M. Leclercq

Keyword(s):

Force Constants ◽

Bonded Complexes ◽

Hydrogen Bonded

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Stretching force constants of the H3N ⋯ LiF lithium bonded and H3N ⋯ HF hydrogen-bonded complexes: Comparison study at the SCF level

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)80076-8 ◽

1986 ◽

Vol 135 ◽

pp. 429-434 ◽

Cited By ~ 11

Author(s):

Zdistaw Latajka ◽

Keiji Morokuma ◽

Henryk Ratajczak ◽

W.J. Orville-Thomas

Keyword(s):

Force Constants ◽

Comparison Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Study of correlation effects on stretching force constants of the H3N⋯LiF lithium-bonded and H3N⋯HF hydrogen-bonded complexes

Journal of Molecular Structure ◽

10.1016/0022-2860(86)80297-6 ◽

1986 ◽

Vol 146 ◽

pp. 263-266 ◽

Cited By ~ 14

Author(s):

Zdzistaw Latajka ◽

Henryk Ratajczak ◽

Keiji Morokuma ◽

W.J. Orville-Thomas

Keyword(s):

Force Constants ◽

Correlation Effects ◽

Bonded Complexes ◽

Hydrogen Bonded

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Quantitative relationships between bond lengths, stretching vibrational frequencies, bond force constants, and bond orders in the hydrogen-bonded complexes involving hydrogen halides

Structural Chemistry ◽

10.1007/s11224-017-1048-2 ◽

2017 ◽

Vol 29 (2) ◽

pp. 513-521 ◽

Cited By ~ 4

Author(s):

Fan Yang ◽

Rui-Zhi Wu ◽

Chao-Xian Yan ◽

Xing Yang ◽

Da-Gang Zhou ◽

...

Keyword(s):

Vibrational Frequencies ◽

Force Constants ◽

Bond Orders ◽

Hydrogen Halides ◽

Bond Lengths ◽

Bond Force ◽

Bonded Complexes ◽

Hydrogen Bonded

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Strengths of non-covalent interactions in hydrogen-bonded complexes B⋯HX and halogen-bonded complexes B⋯XY (X, Y = F, Cl): an ab initio investigation

New Journal of Chemistry ◽

10.1039/c8nj00470f ◽

2018 ◽

Vol 42 (13) ◽

pp. 10548-10554 ◽

Cited By ~ 6

Author(s):

Ibon Alkorta ◽

Anthony Legon

Keyword(s):

Ab Initio ◽

Force Constants ◽

Non Covalent Interactions ◽

Covalent Interactions ◽

Bonded Complexes ◽

Hydrogen Bonded

The intermolecular quadratic stretching force constants kcalc.σ of a series of hydrogen-bonded and halogen bonded complexes B⋯HX and B⋯XY, where B is N2, CO, HCCH, C2H4, H2S, PH3, HCN, or NH3.

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ChemInform Abstract: Some Solid Hydrogen-bonded Complexes of Stannic Chloride whith Diisopropyl Ether and Carboxylic Acids.

Chemischer Informationsdienst ◽

10.1002/chin.198248292 ◽

1982 ◽

Vol 13 (48) ◽

Author(s):

M. M. MOSTAFA ◽

K. TAUGBOL ◽

T. K. LOVENG

Keyword(s):

Carboxylic Acids ◽

Solid Hydrogen ◽

Diisopropyl Ether ◽

Stannic Chloride ◽

Bonded Complexes ◽

Hydrogen Bonded

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Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

New Journal of Chemistry ◽

10.1039/d0nj05362g ◽

2021 ◽

Author(s):

Thufail M. Ismail ◽

Neetha Mohan ◽

P. K. Sajith

Keyword(s):

Hydrogen Bonding ◽

Interaction Energy ◽

Electrostatic Potential ◽

Molecular Electrostatic Potential ◽

Theoretical Study ◽

Nitroxide Radicals ◽

Hydrogen Bonding Interactions ◽

Bonded Complexes ◽

Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

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