Nonlinear hydrogen bonds of the type (CH2)2Z···HY: The rotational spectrum of a complex of methylenecyclopropane and hydrogen bromide

1999 ◽  
Vol 1 (18) ◽  
pp. 4175-4180 ◽  
Author(s):  
A. C. Legon ◽  
D. G. Lister
Keyword(s):  
Hydrogen Bonds ◽  
Hydrogen Bromide ◽  
Rotational Spectrum

The protonation of the ethylenediphosphinetetraacetate anion and the crystal structure of the bis (hydrogen bromide) of ethylenediphosphinetetraacetic acid

1981 ◽  
Vol 46 (12) ◽  
pp. 3063-3073 ◽  
Author(s):  
Jana Podlahová ◽  
Bohumil Kratochvíl ◽  
Vratislav Langer ◽  
Josef Šilha ◽  
Jaroslav Podlaha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Free Acid ◽  
Hydrogen Bromide ◽  
Carboxyl Groups ◽  
Spectroscopic Methods ◽  
X Ray ◽  
Partial Formation

The equilibria and mechanism of addition of protons to the ethylenediphosphinetetraacetate anion (L4-) were studied in solution by the UV, IR, 1H and 31P NMR spectroscopic methods. A total of six protons can be bonded to the anion. They are added stepwise, first with partial formation of zwitterions containing P-H bonds, which then dissociate with formation of the free acid, H4L, where all four protons are bonded in carboxyl groups. The formation of zwitterions is strongly dependent on the concentration. In the final stage, the acid bonds two additional protons to form the bis-phosphonium cation, H6L2+. A number of isostructural salts containing this cation, H4L.2 HX (X = Cl, Br, I), have been prepared. The X-ray crystal structure determination of the bromide confirmed the expected arrangement. The bromide crystals are monoclinic, a = 578.2, b = 1 425.0, c = 1 046.7 pm, β = 103.07° with a space group of P21/c, Z = 2. The final R factor was 0.059 based on 1 109 observed reflections. The structure consists of H6L2+ cations containing protons bonded to phosphorus atoms (P-H distance 134 pm) and of bromide anions, located in gaps which are also sufficiently large for I- anions in the isostructural iodide. The interbonding of phosphonium cations proceeds through hydrogen bonds, C-OH...O=C, in which the O...O distance is 275.3 pm.

Rotational spectrum and structure of a hydrogen-bonded dimer of phosphine with hydrogen bromide

1983 ◽  
Vol 87 (12) ◽  
pp. 2085-2090 ◽  
Author(s):  
L. C. Willoughby ◽  
A. C. Legon
Keyword(s):  
Hydrogen Bromide ◽  
Rotational Spectrum ◽  
Hydrogen Bonded

Rotational spectrum, inversion, and geometry of 2,5-dihydrofuran⋯ethyne and a generalization about Z⋯H–C hydrogen bonds

2005 ◽  
Vol 122 (13) ◽  
pp. 134311 ◽  
Author(s):  
G. C. Cole ◽  
R. A. Hughes ◽  
A C. Legon
Keyword(s):  
Hydrogen Bonds ◽  
Rotational Spectrum ◽  
Spectrum Inversion

Ground-state rotational spectrum of CH3NC⋯HCN and the nature of hydrogen bonds involving triply-bonded carbon

1992 ◽  
Vol 270 ◽  
pp. 449-457 ◽  
Author(s):  
A.C. Legon ◽  
J.C. Thorn
Keyword(s):  
Hydrogen Bonds ◽  
Ground State ◽  
Rotational Spectrum

scholarly journals 4-Allylmorpholin-4-ium bromide

2012 ◽  
Vol 68 (4) ◽  
pp. o1089-o1089
Author(s):  
Meng Ting Han
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Hydrogen Bromide ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

The title compound, C7H14NO+·Br−, was formed by reaction of 4-allylmorpholine and hydrogen bromide. In the crystal, molecules are connectedviaN—H...Br and C—H...Br hydrogen bonds, forming a three-dimensional network.

Do methyl groups form hydrogen bonds? An answer from the rotational spectrum of ethane—hydrogen cyanide

1992 ◽  
Vol 191 (1-2) ◽  
pp. 98-101 ◽  
Author(s):  
A.C. Legon ◽  
A.L. Wallwork ◽  
H.E. Warner
Keyword(s):  
Hydrogen Bonds ◽  
Hydrogen Cyanide ◽  
Methyl Groups ◽  
Rotational Spectrum

Chloromethane-Water Adduct: Rotational Spectrum, Weak Hydrogen Bonds, and Internal Dynamics

2015 ◽  
Vol 10 (5) ◽  
pp. 1198-1203 ◽  
Author(s):  
Qian Gou ◽  
Lorenzo Spada ◽  
Juan Carlos Lòpez ◽  
Jens-Uwe Grabow ◽  
Walther Caminati
Keyword(s):  
Hydrogen Bonds ◽  
Rotational Spectrum ◽  
Internal Dynamics ◽  
Weak Hydrogen Bonds

scholarly journals From Molecular to Cluster Properties: Rotational Spectroscopy of 2-Aminopyridine and of Its Biomimetic Cluster with Water

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6870
Author(s):  
Adam Kraśnicki ◽  
Zbigniew Kisiel ◽  
Jean-Claude Guillemin
Keyword(s):  
Hydrogen Bonds ◽  
Room Temperature ◽  
Rotational Spectroscopy ◽  
Rotational Spectrum ◽  
Base Pairs ◽  
Supersonic Expansion ◽  
Ring Molecules ◽  
Isotopic Species ◽  
Single Ring ◽  
Cluster Properties

We report the observation and analysis of the rotational spectrum of a 1:1 cluster between 2-aminopyridine and water (AMW) carried out with supersonic expansion Fourier transform microwave spectroscopy at 4.7–16.5 GHz. Measurements of the 2-aminopyridine monomer (AMP) were also extended up to 333 GHz for the room-temperature rotational spectrum and to resolve hyperfine splitting resulting from the presence of two 14N quadrupolar nuclei. Supersonic expansion measurements for both AMP and AMW were also carried out for two synthesized isotopic species with single deuteration on the phenyl ring. Nuclear quadrupole hyperfine structure has also been resolved for AMW and the derived splitting constants were used as an aid in structural analysis. The structure of the AMW cluster was determined from the three sets of available rotational constants and the hydrogen bonding configuration is compared with those for clusters with water of similarly sized single-ring molecules. Experimental results aided by quantum chemistry computations allow the conclusion that the water molecule is unusually strongly bound by two hydrogen bonds, OH...N and O...HN, to the NCNH atomic chain of AMP with the potential to replace hydrogen bonds to the identical structural segment in cytosine and adenine in CT and AT nucleic acid base pairs.

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