Strong intramolecular hydrogen bond in triformylmethane ab-initio, AIM and NBO study

N.m.r. spectra have been measured for several anilides in dimethyl sulphoxide solution for temperatures in the range 40-140�. The change of the N-H chemical shift with temperature depends on the nature of the ortho substituent on the benzene ring, being least when a strong intramolecular hydrogen bond is possible between the amide N-H and the ortho substituent. For 2?-nitroanilides, the 6?- proton becomes increasingly deshielded as the temperature is raised.

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An ab initio study on the intramolecular hydrogen bond of protonated ethylene glycol and ethylenediamine

Chemical Physics Letters ◽

10.1016/0009-2614(89)87440-8 ◽

1989 ◽

Vol 154 (1) ◽

pp. 71-76 ◽

Cited By ~ 12

Author(s):

Shigeru Ikuta ◽

Okio Nomura

Keyword(s):

Hydrogen Bond ◽

Ethylene Glycol ◽

Ab Initio ◽

Intramolecular Hydrogen Bond ◽

Ab Initio Study ◽

Intramolecular Hydrogen

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High-Level ab Initio Calculations of Torsional Potential of Phenol, Anisole, ando-Hydroxyanisole: Effects of Intramolecular Hydrogen Bond

The Journal of Physical Chemistry A ◽

10.1021/jp993607e ◽

2000 ◽

Vol 104 (6) ◽

pp. 1332-1336 ◽

Cited By ~ 39

Author(s):

Seiji Tsuzuki ◽

Hirohiko Houjou ◽

Yoshinobu Nagawa ◽

Kazuhisa Hiratani

Keyword(s):

Hydrogen Bond ◽

Ab Initio Calculations ◽

Ab Initio ◽

Intramolecular Hydrogen Bond ◽

Torsional Potential ◽

Intramolecular Hydrogen ◽

High Level

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Temperature dependence of chemical shifts of protons in hydrogen bonds. Experimental evidence on an intramolecular hydrogen bond

Canadian Journal of Chemistry ◽

10.1139/v68-474 ◽

1968 ◽

Vol 46 (17) ◽

pp. 2865-2868 ◽

Cited By ~ 14

Author(s):

T. Schaefer ◽

G. Kotowycz

Keyword(s):

Hydrogen Bond ◽

Carbon Tetrachloride ◽

Chemical Shift ◽

Hydrogen Bonds ◽

Temperature Dependence ◽

Intramolecular Hydrogen Bond ◽

Chemical Shifts ◽

Hydroxyl Proton ◽

Intramolecular Hydrogen ◽

Strong Intramolecular Hydrogen Bond

A temperature dependence of the chemical shift of the hydroxyl proton in the strong intramolecular hydrogen bond in 3,5-dichlorosalicylaldehyde is observed in carbon tetrachloride and benzene-d6 solutions. Its magnitude of 0.25 to 0.30 × 10−2 p.p.m. per ° C over a range of 100 °C is in agreement with the model described by Muller and Reiter (1).

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The synthesis of 5-hydroxy chromenes

Canadian Journal of Chemistry ◽

10.1139/v85-430 ◽

1985 ◽

Vol 63 (10) ◽

pp. 2589-2596 ◽

Cited By ~ 7

Author(s):

J. W. ApSimon ◽

L. W. Herman ◽

C. Huber

Keyword(s):

Hydrogen Bond ◽

Oxygen Atom ◽

Intramolecular Hydrogen Bond ◽

Hydroxyl Group ◽

X Ray ◽

Type Reaction ◽

Intramolecular Hydrogen ◽

Strong Intramolecular Hydrogen Bond

The synthesis of 2,2-dimethyl-5-hydroxychromene (1d) is described. The synthesis of the analogous 5,7-dihydroxy derivatives, using similar conditions, yields the adduct 9 derived via a Bucherer type reaction. X-ray analysis of 9 demonstrated that a pyrrolidine group was in the 7-position, and that the 5-hydroxyl group was involved in a strong intramolecular hydrogen bond to the 4-keto oxygen atom.

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Heterocyclic Tautomerism. The Solution and Crystal Structures of 1-(4',6'-Dimethylpyrimidin-2'-yl)-3-methylpyrazol-5-ol

Australian Journal of Chemistry ◽

10.1071/ch9840459 ◽

1984 ◽

Vol 37 (2) ◽

pp. 459 ◽

Cited By ~ 4

Author(s):

PJ Steel ◽

AR Whyte

Keyword(s):

Hydrogen Bond ◽

Solid State ◽

Crystal Structures ◽

Intramolecular Hydrogen Bond ◽

Title Compound ◽

Intramolecular Hydrogen ◽

Strong Intramolecular Hydrogen Bond

Both in the solid state and in solution, the title compound is shown to exist as the OH tautomer (3), which is stabilized by a strong intramolecular hydrogen bond. Crystals of the pyrazol-5-ol (3) are monoclinic: P 21/c, a 9.692(5), b 7.371(5), c 15.345(8) �, β 106.07(4)�, Z 4; the structure was refined to R 0.072 and Rw 0.062.

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