OH stretching vibrations of phenol—(H2O)n (n=1–3) complexes observed by IR-UV double-resonance spectroscopy

Tanabe, Shigeki; Ebata, Takayuki; Fujii, Masaaki; Mikami, Naohiko

doi:10.1016/0009-2614(93)85726-5

Cited by 315 publications

(278 citation statements)

References 25 publications

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“…The peaks in the spectra of the (8,11) clusters are somewhat red shifted compared to the (8,12) clusters and, at least for Ti 8 C 11 , the resonance is narrower. The spectrum of the (8,12) and (8,11) clusters look very different from the spectra of the other larger titanium carbide clusters ( Figure 14). This is in line with the large differences in the proposed structure of Ti 8 C 12 from the structures of the larger titanium carbide clusters.…”

Section: Metal Carbidesmentioning

confidence: 90%

“…These clusters have not previously been observed to be special ("magic"), nor did anybody propose a special structure for them. The spectra of the (8,11) clusters can be compared to their (8,12) counterparts. Clearly, the spectra are very similar, but it is important to note that they are not the same.…”

Section: Metal Carbidesmentioning

confidence: 99%

“…If they were the same, one could not exclude the possibility that the (8,11) clusters formed during or after the excitation/ionization process by fragmentation of (8,12) clusters. The peaks in the spectra of the (8,11) clusters are somewhat red shifted compared to the (8,12) clusters and, at least for Ti 8 C 11 , the resonance is narrower. The spectrum of the (8,12) and (8,11) clusters look very different from the spectra of the other larger titanium carbide clusters ( Figure 14).…”

Section: Metal Carbidesmentioning

confidence: 99%

“…This is in line with the large differences in the proposed structure of Ti 8 C 12 from the structures of the larger titanium carbide clusters. Although there is some uncertainty on the details of the structure, all proposed structures for (8,12) clusters involve C 2 units that coordinate to the metal atoms. [54][55][56][57][58][59] The IR spectra of the (8,11) clusters in Figure 12 are similar to those of Ti 8 C 12 and V 8 C 12 , indicating that the main structural motives are similar as well.…”

Section: Metal Carbidesmentioning

confidence: 99%

“…In our experiments on Ti, V, Nb, and Zr carbide clusters, no larger clusters, in particular at masses that would correspond to "multicages", 60,61 with spectra similar to those in Figure 12 are observed. The only clusters with similar IR spectra are the (8,12), (8,11), and (7,12) clusters. There are indications that the observed signal at the mass of the (7,12) cluster does not result from excitation of neutral (7,12) and is instead caused by fragmentation of (8,12).…”

Section: Metal Carbidesmentioning

confidence: 99%

See 4 more Smart Citations

Resonant Ionization Using IR Light: A New Tool To Study the Spectroscopy and Dynamics of Gas-Phase Molecules and Clusters

2003

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Resonant IR excitation of gas-phase molecules and clusters can lead to superhot species that thermally emit an electron. Monitoring the mass selected ion yield as a function of IR laser frequency yields the IR-REMPI (infrared resonance enhanced multiphoton ionization) spectrum of the molecule or cluster. Although this IR-REMPI spectrum is not the same as the linear absorption spectrum, it can be quite similar and it yields valuable information on the IR optical properties of the species investigated. In this article, the method and the necessary tools are presented. Results from experiments on fullerenes, metal carbide, metal oxide, and metal nitride clusters are shown.

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Section: Metal Carbidesmentioning

confidence: 90%

Section: Metal Carbidesmentioning

confidence: 99%

Section: Metal Carbidesmentioning

confidence: 99%

Section: Metal Carbidesmentioning

confidence: 99%

Section: Metal Carbidesmentioning

confidence: 99%

See 3 more Smart Citations

Resonant Ionization Using IR Light: A New Tool To Study the Spectroscopy and Dynamics of Gas-Phase Molecules and Clusters

2003

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Does the proton-transfer reaction take place in the ground state of phenol?(H2O)4 clusters?

Watanabe

Iwata

1996

Int. J. Quantum Chem.

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rnIn recent experimental studies of infrared (IR) spectra of hydrated phenol clusters, the Mikami and Ebata group at Tohoku University attributed apparently two very different spectra to PhOH(H,O),. The first spectrum has a wide transparent region between 3500 and 3700 cm-', which they named a window region. The second spectrum has several absorption bands in this window region. Our previous study revealed that the first spectrum was assigned to the isomers which have a single-ring structure of a hydrogenbonding network of OH'S of phenol and waters. The experimentalists suggested that the second spectrum might be identified to a proton-transferred phenol-water cluster. In the present article, the geometrical structures of proton-transferred hydrated phenol clusters were determined with the ab initio molecular orbital method and their IR spectra were calculated. The proton-transferred phenol-water cluster is at a stable local minimum, but the energy is much higher than that of the most stable nontransferred cluster. The calculated IR spectrum has a still wider window region and is far different from the experimental spectrum of the second type. 0 1996 John Wiley & Sons, Inc.

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General and Theoretical Aspects of Phenols

Nguyen

Kryachko

Vanquickenborne

2009

Patai's Chemistry of Functional Groups

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Introduction Molecular Structure and Bonding of Phenol Structures and Properties of Substituted Phenols Energetics of some Fundamental Processes Hydrogen Bonding Abilities of Phenols Open Theoretical Problems Acknowledgements

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OH stretching vibrations of phenol—(H2O)n (n=1–3) complexes observed by IR-UV double-resonance spectroscopy

Cited by 315 publications

References 25 publications

Resonant Ionization Using IR Light: A New Tool To Study the Spectroscopy and Dynamics of Gas-Phase Molecules and Clusters

Resonant Ionization Using IR Light: A New Tool To Study the Spectroscopy and Dynamics of Gas-Phase Molecules and Clusters

Does the proton-transfer reaction take place in the ground state of phenol?(H2O)4 clusters?

General and Theoretical Aspects of Phenols

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