Infrared spectra and structures of aniline+–furan and aniline+–phenol : Preference between π-type and σ-type hydrogen-bonded structures
Chemical Physics Letters Volume 376 Issue 1-2
Page 244-250
published_at 2003-07-17
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| File | |
| Title ( eng ) |
Infrared spectra and structures of aniline+–furan and aniline+–phenol : Preference between π-type and σ-type hydrogen-bonded structures
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| Creator |
Honkawa Yoshiki
Ohashi Kazuhiko
Nishi Nobuyuki
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| Source Title |
Chemical Physics Letters
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| Volume | 376 |
| Issue | 1-2 |
| Start Page | 244 |
| End Page | 250 |
| Abstract |
Infrared photodissociation spectra of aniline+–M (M=thiophene, furan and phenol) are measured in the 2700–3700 cm−1 region and analyzed by density functional theory calculations. Only a structure involving a π-type hydrogen bond is found for aniline+–thiophene. Two structural isomers are identified for aniline+–furan and aniline+–phenol, which have either a π-type or a σ-type hydrogen bond, where an amino proton of aniline+ interacts with the π-electrons or the oxygen atom of the neutral molecules, respectively. The isomer with a σ-type hydrogen bond is more stable for aniline+–phenol, while less stable for aniline+–furan.
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| NDC |
Chemistry [ 430 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
Elsevier B.V.
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| Date of Issued | 2003-07-17 |
| Rights |
Copyright (c) 2003 Elsevier B.V.
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[ISSN] 0009-2614
[DOI] 10.1016/S0009-2614(03)00985-0
[DOI] http://dx.doi.org/10.1016/S0009-2614(03)00985-0
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