Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Published

Standard

Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea. / Davies, J. Eric D.; Tabner, Vivienne A.
In: Journal of Inclusion Phenomena and Macrocyclic Chemistry, Vol. 31, No. 2, 06.1998, p. 99-107.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Davies, JED & Tabner, VA 1998, 'Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea.', Journal of Inclusion Phenomena and Macrocyclic Chemistry, vol. 31, no. 2, pp. 99-107. https://doi.org/10.1023/A:1007917532412

APA

Davies, J. E. D., & Tabner, V. A. (1998). Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 31(2), 99-107. https://doi.org/10.1023/A:1007917532412

Vancouver

Davies JED, Tabner VA. Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 1998 Jun;31(2):99-107. doi: 10.1023/A:1007917532412

Author

Davies, J. Eric D. ; Tabner, Vivienne A. / Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea. In: Journal of Inclusion Phenomena and Macrocyclic Chemistry. 1998 ; Vol. 31, No. 2. pp. 99-107.

Bibtex

@article{4316709505e349808919a49a0bcc37c1,

title = "Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea.",

abstract = "Infrared, Raman and solid state13C NMR spectra have been recorded for arange of inclusion compounds of urea containingstraight chain aliphatic carboxylic acids(butyric – decanoic) as guests. Inclusioncompounds are not formed with formic, acetic andpropionic acids. Thiourea does not forminclusion compounds with any of the C1 to C10acids. The vibrational and NMR data support theconclusion that the acids are present ashydrogen bonded dimers in the channels of thehost. The alkyl chain 13C chemical shiftvalues are very different from those of acidguests in the cavities formed in Dianin'scompound. These suggest that the alkyl chainsare present in the all-trans conformation,although weak bands observed in the spectrum ofthe decanoic acid inclusion compound lend somesupport to suggestions based on MM calculationsthat other conformations might be present.",

keywords = "IR spectroscopy - Raman spectroscopy - 13C MAS NMR spectroscopy - clathrates - inclusion compounds - carboxylic acids - urea - thiourea",

author = "Davies, {J. Eric D.} and Tabner, {Vivienne A.}",

year = "1998",

month = jun,

doi = "10.1023/A:1007917532412",

language = "English",

volume = "31",

pages = "99--107",

journal = "Journal of Inclusion Phenomena and Macrocyclic Chemistry",

issn = "0923-0750",

publisher = "Kluwer Academic Publishers",

number = "2",

}

RIS

TY - JOUR

T1 - Clathrate and inclusion compounds : part 13. Vibrational and NMR spectroscopic studies of carboxylic acid guests in urea.

AU - Davies, J. Eric D.

AU - Tabner, Vivienne A.

PY - 1998/6

Y1 - 1998/6

N2 - Infrared, Raman and solid state13C NMR spectra have been recorded for arange of inclusion compounds of urea containingstraight chain aliphatic carboxylic acids(butyric – decanoic) as guests. Inclusioncompounds are not formed with formic, acetic andpropionic acids. Thiourea does not forminclusion compounds with any of the C1 to C10acids. The vibrational and NMR data support theconclusion that the acids are present ashydrogen bonded dimers in the channels of thehost. The alkyl chain 13C chemical shiftvalues are very different from those of acidguests in the cavities formed in Dianin'scompound. These suggest that the alkyl chainsare present in the all-trans conformation,although weak bands observed in the spectrum ofthe decanoic acid inclusion compound lend somesupport to suggestions based on MM calculationsthat other conformations might be present.

AB - Infrared, Raman and solid state13C NMR spectra have been recorded for arange of inclusion compounds of urea containingstraight chain aliphatic carboxylic acids(butyric – decanoic) as guests. Inclusioncompounds are not formed with formic, acetic andpropionic acids. Thiourea does not forminclusion compounds with any of the C1 to C10acids. The vibrational and NMR data support theconclusion that the acids are present ashydrogen bonded dimers in the channels of thehost. The alkyl chain 13C chemical shiftvalues are very different from those of acidguests in the cavities formed in Dianin'scompound. These suggest that the alkyl chainsare present in the all-trans conformation,although weak bands observed in the spectrum ofthe decanoic acid inclusion compound lend somesupport to suggestions based on MM calculationsthat other conformations might be present.

KW - IR spectroscopy - Raman spectroscopy - 13C MAS NMR spectroscopy - clathrates - inclusion compounds - carboxylic acids - urea - thiourea

U2 - 10.1023/A:1007917532412

DO - 10.1023/A:1007917532412

M3 - Journal article

VL - 31

SP - 99

EP - 107

JO - Journal of Inclusion Phenomena and Macrocyclic Chemistry

JF - Journal of Inclusion Phenomena and Macrocyclic Chemistry

SN - 0923-0750

IS - 2

ER -

Research

Links

Text available via DOI:

Keywords