Laser threshold photoelectron spectra of the cis and trans rotational isomers of p‐dimethoxybenzene–Arn (n=0,1,2): Observation of the intermolecular van der Waals stretching and bending vibrational modes in the cation

1992 ◽  
Vol 97 (7) ◽  
pp. 4679-4689 ◽  
Author(s):  
Martin C. R. Cockett ◽  
Katsuhiko Okuyama ◽  
Katsumi Kimura
Keyword(s):  
Van Der Waals ◽  
Photoelectron Spectra ◽  
Vibrational Modes ◽  
Laser Threshold ◽  
Rotational Isomers ◽  
Cis And Trans

REMPI threshold photoelectron spectra of the cis and trans rotational isomers of jet-cooled m-chlorophenol

1991 ◽  
Vol 187 (3) ◽  
pp. 250-256 ◽  
Author(s):  
M.C.R. Cockett ◽  
M. Takahashi ◽  
K. Okuyama ◽  
K. Kimura
Keyword(s):  
Photoelectron Spectra ◽  
Rotational Isomers ◽  
Cis And Trans

Stable cis and trans rotational isomers of 1,8-di-o-tolylnaphthalene

1976 ◽  
Vol 98 (4) ◽  
pp. 1018-1020 ◽  
Author(s):  
Roger L. Clough ◽  
John D. Roberts
Keyword(s):  
Rotational Isomers ◽  
Cis And Trans

Photoelectron studies on intramolecularly hydrogen-bonded systems. I. The photoelectron spectra of cis- and trans-2-aminocyclopentanol, and cis- and trans-2-(N,N-dimethylamino)cyclopentanol

1976 ◽  
Vol 54 (4) ◽  
pp. 642-646 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Ionization Energy ◽  
Lone Pair ◽  
Intramolecular Hydrogen Bonding ◽  
Photoelectron Spectra ◽  
Hydrogen Bonded Systems ◽  
Intramolecular Hydrogen ◽  
Cis And Trans ◽  
Infrared Data ◽  
Hydrogen Bonded

The photoelectron spectra of cis- and trans-2-aminocyclopentanol and cis- and trans-2-(N,N,-dimethylamino)cyclopentanol have been recorded and interpreted. The cis isomers exhibit N lone pair ionizations at higher ionization energy, and O lone pair ionizations at lower ionization energy than their trans isomers.The results are most consistent with the existence and observation of intramolecular hydrogen-bonding in the cis isomers. Infrared data on these systems also show that the cis isomers exist in the intramolecularly hydrogen-bonded state.

Application of photoelectron spectroscopy to intramolecularly hydrogen-bonded systems. Part III. The photoelectron spectra of cis and trans 2-substituted cyclopentanols and cis and trans 2-substituted cyclohexanols

1976 ◽  
Vol 54 (12) ◽  
pp. 1929-1937 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Photoelectron Spectroscopy ◽  
Intramolecular Hydrogen Bonding ◽  
Photoelectron Spectra ◽  
Molecular Orbital Calculations ◽  
Cis And Trans Isomers ◽  
Koopmans Theorem ◽  
Hydrogen Bonded Systems ◽  
Intramolecular Hydrogen ◽  
Cis And Trans

The photoelectron spectra of several well defined molecules exhibiting intramolecular hydrogen bonding has been determined and the analysis of the spectra is in accord with recent molecular orbital calculations of related systems. The experimentally determined enthalpies of the hydrogen bonds in cis-2-aminocyclopentanol and cis- and trans-2-aminocyclohexanol do not correlate in any simple fashion with the shifts in the ionization energies of the nO and nN orbitals compared to a model which precludes hydrogen bonding. The spectral differences attributed to hydrogen bonding in the cis and trans 2-substituted cyclanols cannot be attributed to differences in the through-bond interaction of the n orbitals on either atom since the cis and trans isomers of 1,2-dimethoxycyclopentane and 1,2-dimethoxycyclohexane show virtually identical pe spectra. A discussion of the applicability of Koopmans' theorem and the effect of the hydrogen bond in both the ion and ground states is presented.

Darstellung und Schwingungsspektren von cis- und trans-[OsXY(acac)2], X ≠ Y = Cl, Br, I sowie Normalkoordinatenanalyse von trans-[OsClBr(acac)2]/Synthesis and Vibrational Spectra of cis- and trans-[OsXY(acac)2], X ≠ Y = Cl, Br, I, and Normal Coordinate Analysis of trans-[OsClBr(acac)2]

1998 ◽  
Vol 53 (2) ◽  
pp. 227-231
Author(s):  
K. Dallmann ◽  
W. Preetz
Keyword(s):  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Vibrational Modes ◽  
Normal Coordinate ◽  
Valence Force ◽  
Valence Force Field ◽  
Stretching Vibrations ◽  
Cis And Trans ◽  
Ir And Raman ◽  
Good Agreement

Abstract In the reaction of K2[OsX3 Y3] with boiling water/acetylacetone (1:1) the six mixed com­plexes cis-and trans-[OsX2 (acac)2] (X ≠ Y = Cl, Br, I) are formed, which have been purified by column chromatography with toluene on silica gel. The IR and Raman spectra (10K) show the intraligand vibrations of the acac groups with nearly constant frequencies and the stretching vibrations of OsO in the range 460-696, of OsCl at 315-345, of OsBr at 210-225, and of Osl at 160-175 cm-1 . A normal coordinate analysis based on a modified valence force field was performed for trans-[OsClBr(acac)2] and the vibrational modes have been assigned. With a set of 32 force constants, taking into account the intraligand vibrations, a good agreement between observed and calculated frequencies has been achieved. The valence force constants are fd (OsCl•) = 1.75, fd(OsBr′) = 1.63 and fd (OsO) = 3.27 mdyn/Å.

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