論文 - 中嶋　敦

Geometric and electronic structure of binary clusters containing silicon atoms

K. Kaya, A. Nakajima

Materials Science and Engineering: A （Elsevier Science BV）  217/218   7 - 11 1996年10月

研究論文（学術雑誌）, 共著, 最終著者, 査読有り,  ISSN  09215093

　概要を見る

シリコンクラスター骨格へのナトリウムおよびフッ素ドープによって誘起される構造変化を、光電子分光によって明らかにし、電子移動を論じた。

• Access to Document (DOI)
• CiNii Research

Photoelectron spectroscopy of silicon-fluorine binary cluster anions (Si_nF_m^-)

H. Kawamata, Y. Negishi, R. Kishi, S. Iwata, A. Nakajima, K. Kaya

Journal of Chemical Physics （American Institute of Physics）  105 （ 13 ） 5369 - 5376 1996年10月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  0021-9606

　概要を見る

<p>Electronic properties of silicon-fluorine cluster anions (Si_nF_m^-; n=1-11, HZ = 1-3) were investigated by photoelectron spectroscopy using a magnetic-bottle type electron spectrometer. The binary cluster anions were generated by a laser vaporization of a silicon rod in an He carrier gas mixed with a small amount of SiF₄ or F₂ gas. The highly abundant clusters are SiF_m^- (m=3 and 5) and Si_nF^- (n=6, 7, and 10) in their mass spectra. In the photoelectron spectra of SiF_m^- (m = 1-5), the clusters having odd m have higher electron affinity (EA) than those having even in, indicating that the even/odd alternation in EA is attributed to their electronic structures of a closed/open valence shell. Comparison between photoelectron spectra of Si_nF^- and Si_n^- (n=4-11) gives the insight that the doped F atom can remove one electron from the corresponding Si_n^- cluster without any serious rearrangement of Si_n^- framework, because only the first peak of Si_n^-, corresponding singly occupied molecular orbital (SOMO), disappears and other successive spectral features are unchanged with the F atom doping. In some clusters, furthermore, the vibrational structures could be resolved to determine a vibrational frequency and to presume the geometry with ab initio molecular orbital calculations.</p>

• Access to Document (DOI)

Theoretical study of carbon doped small silicon clusters: Electron affinities of Si_nC (n = 2-5)

R. Kishi, M. Gomei, A. Nakajima, S. Iwata, K. Kaya

Journal of Chemical Physics （American Institute of Physics）  104 （ 21 ） 8593 - 8604 1996年06月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  00219606

　概要を見る

The geometries and energies of SinC and SinC- (n=2-5) were investigated with ab initio MO calculations including electron correlation. The Møller-Plesset perturbation theory was used for n=3-5. The configuration interaction (CI) calculations were carried out for n=2 and 3. The most stable isomers of the neutral SinC clusters have the structure in which an Si atom having the largest sp hybridization in the corresponding Sin+1 cluster is replaced by a C atom. For their anions, the structures in which an excess electron is distributed avoiding a C atom become stable. Moreover, the adiabatic electron affinities of SinC and vertical detachment energies of anionic SinC- were computed. They reproduced the trends of photoelectron spectra of SinC- reported previously. © 1996 American Institute of Physics.

• Access to Document (DOI)
• CiNii Research

Theoretical Study of Silicon-M Binary Clusters（M=C and Na）

R. Kishi, A. Nakajima, S. Iwata, K. Kaya

T. Kondow et al.（eds.）”Structures and Dynamics of Clusters” frontiers science series （Universal Academy Press）   （ 16 ） 607 - 612 1996年05月

論文集(書籍)内論文, 共著

　概要を見る

シリコンに炭素またはナトリウムをドープして得られる２成分クラスターの構造を理論計算によって明らかにし、実験値の対比から異原子効果を論じた。

Organometallic Clusters studied Under the Molecular Beam

K. Kaya, K. Hoshino, T. Kurikawa, H. Takeda, M. Hirano, T. Yasuike, S. Yabushita, A. Nakajima

T. Kondow et al.（eds.）”Structures and Dynamics of Clusters” Frontiers Science Series （Universal Academy Press）   （ 16 ） 129 - 134 1996年05月

論文集(書籍)内論文, 共著, 最終著者

　概要を見る

気相中のレーザー蒸発によって生成させた有機金属クラスターが遷移金属の種類によって多様な形態をとることを総合的に論じた。

Photoelectron Spectroscopy of Binary Silicon Cluster Anions

A. Nakajima, N. Zhang, H. Kawamata, T. Hayase, K. Kaya

T. Kondow et al.（eds.）”Structures and Dynamics of Clusters” frontiers science series （Universal Academy Press）   （ 16 ） 377 - 382 1996年05月

論文集(書籍)内論文, 共著, 筆頭著者

　概要を見る

シリコンに他元素を混ぜた２成分クラスターを生成させ、その負イオンの光電子分光によって電子状態変化を観測し、異原子ドープの影響を論じた。

Photoelectron spectroscopy of iron-sulfur cluster anions

N. Zhang, T. Hayase, H. Kawamata, K. Nakao, A. Nakajima, K. Kaya

Journal of Chemical Physics （American Institute of Physics）  104 （ 10 ） 3413 - 3419 1996年03月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  0021-9606

　概要を見る

Iron-sulfur cluster anions (FenSm-, n=1-6, m=1-6) have been studied using photoelectron spectroscopy (PES) with a magnetic-bottle-type time-of-flight electron spectrometer. The FenSm-. cluster anions were formed in a laser vaporization cluster source. It was found that the stable cluster ions are the ones with compositions of n=m and n=m±1. The electron affinities were measured from the onsets of the PES spectra. Three low-lying electronic states were observed for FeS. The PES spectra of FenS- (n=1-4) series show a unique similarity, indicating that the Fe atom addition to FeS- has little effect on the electronic property of FeS. The PES spectra of FenS2- series show a similarity among the cluster anions with n=2-4, showing that Fe2S2- is the structural framework of these clusters. For FenS3- series, Fe3S3- is proposed to be the structural framework. The electronic properties and geometrical structures of the clusters are discussed. © 1996 American Institute of Physics.

• Access to Document (DOI)

Structures of organometallic clusters: V_n(benzene)_m and Co_n(benzene)_m

K. Hoshino, T. Kurikawa, H. Takeda, A. Nakajima, K. Kaya

Surface Review and Letters （World Scientific Publishing）  3 （ 1 ） 183 - 185 1996年02月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  0218625X

　概要を見る

Metal-molecule clusters, Vn(benzene)m, Con(benzene)m, and their ions, were synthesized by the reaction of laser-vaporized vanadium atoms with benzene vapor. Both neutral and cationic Vn(benzene)m clusters exhibit magic number behavior at m = n + 1 (n = 1-5), which was explicable in terms of multiple-decker sandwich structure.

• Access to Document (DOI)

Photoelectron spectroscopy of silicon-carbon cluster anions

A. Nakajima, T. Taguwa, K. Nakao, M. Gomei, R. Kishi, S. Iwata, K. Kaya

Surface Review and Letters （World Scientific Publishing）  3 （ 1 ） 411 - 415 1996年02月

研究論文（学術雑誌）, 共著, 筆頭著者, 査読有り,  ISSN  0218-625X

　概要を見る

Photoelectron spectra of CnSim- cluster anions (3≤ n, m ≤6) were measured at the photon energy of 3.49 eV, by using a magnetic-bottle electron spectrometer having ∼60-meV resolution. The CnSim- clusters were produced by laser vaporization of a carbon-silicon mixture rod in a He carrier gas. The spectra of the C1Sim-1- clusters are similar to those of pure Si-m clusters in the peak positions and their envelopes, which is attributed to the similarity in electronic structure of Si and C atoms, leading to a similar geometry. In contrast, the similarity in the photoelectron spectra is not observed between C-n and Cn-1Si1- clusters, which is attributed to a change in their geometry; from chain to ring.

• Access to Document (DOI)

Electron-correlation effects on geometrical and electronic structures of Si_nNa clusters

R. Kishi, A. Nakajima, S. Iwata, K. Kaya

Surface Review and Letters （World Scientific Publishing）  3 （ 1 ） 365 - 369 1996年02月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  0218-625X

　概要を見る

<p>The geometries and energies of silicon-sodium binary clusters (Si_nNa, n = 2-7) were investigated with the inclusion of electron-correlation effects using the second-order Møller-Plesset perturbation theory (MP2) with the 6-31G basis set. In addition, the fourth-order (MP4) energies were evaluated to determine the ground-state isomers. Si₄Na cluster was calculated with the polarized 6-31G* basis set. For all of the Si_nNa clusters, the most stable isomers have bridge-site type structures. Apart from the bridge-site type Si₆Na, the structure of the most stable isomer of Si_nNa keeps the frame of the corresponding Si_n cluster unchanged, and the electronic structure of Si_nNa is similar to that of the corresponding negative ion Si^-
_n. The silicon framework of the bridge-site type of Si₆Na is distorted from the compressed octahedron to the face-capped trigonal bipyramid.</p>

• Access to Document (DOI)

Photoelectron spectroscopy of binary cluster anions

K. Kaya, A. Nakajima

Surface Review and Letters （World Scientific Publishing）  3 （ 1 ） 637 - 642 1996年02月

研究論文（学術雑誌）, 共著, 最終著者, 査読有り,  ISSN  0218-625X

　概要を見る

Photoelectron spectra of AlnSm- and SinNa-m were measured using magnetic-bottle-type photoelectron spectrometer. Sulfur atoms were found to perturb the structural factor of Al clusters and several magic number clusters such as AlS- and Al3S3- were newly observed. Sodium atoms perturb the electronic factor of Si clusters with small disturbance of the geometries of the genuine clusters.

• Access to Document (DOI)

Photoelectron spectroscopy of binary-metal cluster anions containing sulfur atom

A. Nakajima, T. Taguwa, K. Nakao, K. Hoshino, S. Iwata, K. Kaya

Surface Review and Letters （World Scientific Publishing）  3 （ 1 ） 417 - 421 1996年02月

研究論文（学術雑誌）, 共著, 筆頭著者, 査読有り,  ISSN  0218-625X

　概要を見る

Photoelectron spectra of MnS-1 (M = Al, Cu, Ag, and Au) cluster anions were measured at the photon energies of 3.49 and 4.66 eV using a magnetic-bottle electron spectrometer having ∼60-meV resolution. The electron affinities of AlS-, CuS-, AgS-, and AuS- are 2.60(3), 2.10(3), 2.09(3), and 2.44(3) eV, respectively. The large EA of AlS- is attributed to large stability by six bonding electrons, and a new electronic state of A′2Π can be found 0.4 eV above the AlS ground state, which is in agreement with a theoretical calculation. In the photoelectron spectrum of AuS-, two peaks due to a splitting by the L-S coupling could be observed, and the amount of the splitting is 0.18(2) eV. The results of aluminum clusters containing sulfur atom will also be presented.

• Access to Document (DOI)

Photoelectron spectroscopy of manganese-sulfur cluster anions

N. Zhang, H. Kawamata, A. Nakajima, K. Kaya

Journal of Chemical Physics （American Institute of Physics）  104 （ 1 ） 36 - 41 1996年01月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  0021-9606

　概要を見る

Manganese-sulfur cluster anions (MnnSm-, n = 1-10, m = 1-10) have been studied using a magnetic-bottle type photoelectron spectroscopy (PES). The MnnSm- cluster anions were formed in a laser vaporization cluster source. The most stable cluster anions were found to have the compositions of n=m and n=m±1. The electron affinities of neutral manganese sulfide clusters were measured from the onsets of the PES spectra. A new electronically excited state at 0.75 eV above the ground state was found for MnS. From the size dependence of the PES spectra, it was found that Mn2S2-, Mn3S3-, and Mn4S4- are structural frameworks in MnnS2-, MnnS3-, and MnnS4- series, respectively. The electronic properties and geometrical structures of the clusters are discussed. © 1996 American Institute of Physics.

• Access to Document (DOI)

Structures and ionization energies of cobalt-benzene clusters (Co_n(benzene)_m)

T. Kurikawa, M. Hirano, H. Takeda, K. Yagi, K. Hoshino, A. Nakajima, K. Kaya

Journal of Physical Chemistry （American Chemical Society）  99 （ 44 ） 16248 - 16252 1995年11月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  00223654

　概要を見る

Cobalt-benzene clusters, Con(benzene)m, were synthesized by the reaction of laser-vaporized Co atoms with benzene vapor. The clusters exhibit magic-number behavior not only at m = n + 1 (n = 1-3) but also at (n-m) = (3-3), (4-4), (5-4), (6-4), (7-4), (8-5), and (9-6). Observed magic-number behavior and ionization energies are consistently explained by assuming the structure of the clusters to be multiple-decker sandwiches for n-m (m = n + 1, n = 1 - 3) and to be an n atom metal cluster coated by m benzene molecules for n-m (n ≥ 4). In this paper, we will present the properties of Con(benzene)m clusters from the viewpoints of mass distribution, reactivity, and ionization energies. The structure and formation mechanism of the Con(benzene)m clusters will also be discussed. © 1995 American Chemical Society.

• Access to Document (DOI)

Photoelectron spectroscopy of silicon-carbon cluster anions (Si_nC_m^-)

A. Nakajima, T. Taguwa, K. Nakao, M. Gomei, R. Kishi, S. Iwata, K. Kaya

The Journal of Chemical Physics （American Institute of Physics）  103 （ 6 ） 2050 - 2057 1995年08月

研究論文（学術雑誌）, 共著, 最終著者, 責任著者, 査読有り,  ISSN  00219606

　概要を見る

Photoelectron spectra of Sin,Cm- cluster anions (1≤n≤7 and 1≤m≤5) were measured at the photon energies of 3.49 eV, by using a magnetic bottle electron spectrometer. The Si nCm- clusters were produced either by a laser vaporization of a silicon-carbon mixed rod or by two laser vaporizations of carbon and silicon rods in a He carrier gas. The spectra of the Si nC1- (3≤n≤7) clusters are similar to those of pure Sin+1- clusters in the peak positions and their envelopes, which is attributed to the isovalent electronic structure of Si and C atoms as well as to the similar geometrical structure. In contrast, the similarity in the photoelectron spectra is not observed between Cm+1 and Si1Cm (2≤m≤5) clusters, which is attributed to a change in their geometry; from chain to ring. These experimental conclusions are discussed with the results of our theoretical calculations. © 1995 American Institute of Physics.

• Access to Document (DOI)

Photoelectron spectroscopy and mass distributions of aluminum-sulfur cluster anions (Al_nS_m^-)

A. Nakajima, N. Zhang, H. Kawamata, T. Hayase, K. Nakao, K. Kaya

Chemical Physics Letters （Elsevier Science BV）  241 （ 4 ） 295 - 300 1995年07月

研究論文（学術雑誌）, 共著, 筆頭著者, 査読有り,  ISSN  00092614

　概要を見る

Photoelectron spectra of AlnSm- cluster anions (0 ≤ n, m ≤ 10) were measured at photon energies of 3.49 and 4.66 eV, by using a magnetic bottle electron spectrometer. The AlnSm-. clusters were produced by laser vaporization of an aluminum-sulfur mixed rod in He carrier gas. The abundant AInSM clusters are three types of AlS-(Al2S3)k, AlS2-(Al2S3)k, and (Al2S3)k-, where an unit of Al2S3 aggregates with ion cores of AlS-, AlS2-, and Al2S3, respectively. Al3S3 is exceptionally stable with its geometrical structure. © 1995.

• Access to Document (DOI)

Ionization energies of cobalt-vanadium bimetallic clusters (Co_nV_m)

K. Hoshino, T. Naganuma, K. Watanabe, Y. Konishi, A. Nakajima, K. Kaya

Chemical Physics Letters （Elsevier Science BV）  239 （ 4-6 ） 369 - 372 1995年06月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  00092614

　概要を見る

The ionization energies (Ei) for bimetallic clusters of cobalt and vanadium (ConVm) were determined by photoionization spectroscopy. A comparison of Ei values to the hydrogen chemisorption reactivity reveals no correlation, indicating the importance of inhomogeneity of bimetallic clusters. © 1995.

• Access to Document (DOI)

Structures and ionization energies of sandwich clusters (V_n(benzene)_m)

K. Hoshino, T. Kurikawa, H. Takeda, A. Nakajima, K. Kaya

Journal of Physical Chemistry （American Chemical Society）  99 （ 10 ） 3053 - 3055 1995年03月

研究論文（学術雑誌）, 共著, 査読有り,  ISSN  00223654

　概要を見る

Metal-molecule clusters Vn(benzene)m were synthesized by the reaction of laser-vaporized vanadium atoms with benzene vapor. The clusters exhibit magic number behavior at m = n - 1, n, and n + 1 (n = 1-5), which is explicable in terms of the multiple decker sandwich structure for these stable clusters. The ionization energies of these sandwich clusters decrease significantly with increasing cluster size. © 1995 American Chemical Society.

• Access to Document (DOI)

Photoelectron spectroscopy of Al_nS₁^- clusters (n = 1-9)

A. Nakajima, T. Taguwa, K. Nakao, K. Hoshino, S. Iwata, K. Kaya

The Journal of Chemical Physics （American Institute of Physics）  102 （ 2 ） 660 - 665 1995年01月

研究論文（学術雑誌）, 共著, 筆頭著者, 査読有り,  ISSN  00219606

　概要を見る

Photoelectron spectra of AlnS1 (1≤n≤9) cluster anions were measured at the photon energies of 3.49 and 4.66 eV, using a magnetic bottle electron spectrometer having ∼60 meV resolution. AlS - has an electron affinity of as large as 2.6 eV, attributed to large stability by six bonding electrons. A new electronic state, A′ 2Π, was found 0.4 eV above the AlS ground state, which is in agreement with theoretical calculations. AlnS1- cluster anions are produced efficiently up to n=5, but the production of larger cluster sizes is found difficult. The mass distribution of AlnS 1- cluster anions and electron binding energy can be explained by a geometric structure obtained by theoretical calculation. © 1995 American Institute of Physics.

• Access to Document (DOI)
• CiNii Research

Spectroscopic Study of Hydrogen Bonded7-Azaindole Clusters

A. Nakajima, F. Ono, Y. Kihara, A. Ogawa, K. Matsubara, K. Ishikawa, M. Baba, K. Kaya

Laser Chemistry （Wiley-VCH Verlag GMBH）  15 （ 2-4 ） 167 - 181 1995年01月

研究論文（学術雑誌）, 共著, 筆頭著者, 査読有り,  ISSN  0278-6273

• Access to Document (DOI)