A theoretical study on the clusters Irn with n = 4, 6, 8, 10

Jian Nan Feng; Xu Ri Huang; Ze Sheng Li

doi:10.1016/S0009-2614(97)00840-3

A theoretical study on the clusters Ir_n with n = 4, 6, 8, 10

Jian Nan Feng^*
, Xu Ri Huang
, Ze Sheng Li

^*Corresponding author for this work

Jilin University

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Abstract

For investigating the hydrocarbon hydrogenation catalytic activity of metal particles which become size-dependent as the particles which become so small as clusters, the clusters Ir_n with n = 4, 6, 8, 10 are studied by using effectvie core potential (10s5p3d)/[2s1p1d] basis set of Gaussian-94 program. THe calculated result shows that for spin singlet, the clusters Ir₄ and Ir₆ without solid support are of size-dependent reactivity, whereas the clusters Ir₈ and Ir₁₀ without solid support may be of size-independent reactivity, even they may not possess catalytic activity.

Original language	English
Pages (from-to)	334-338
Number of pages	5
Journal	Chemical Physics Letters
Volume	276
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(97)00840-3
Publication status	Published - 26 Sept 1997
Externally published	Yes

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10.1016/S0009-2614(97)00840-3

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title = "A theoretical study on the clusters Irn with n = 4, 6, 8, 10",

abstract = "For investigating the hydrocarbon hydrogenation catalytic activity of metal particles which become size-dependent as the particles which become so small as clusters, the clusters Irn with n = 4, 6, 8, 10 are studied by using effectvie core potential (10s5p3d)/[2s1p1d] basis set of Gaussian-94 program. THe calculated result shows that for spin singlet, the clusters Ir4 and Ir6 without solid support are of size-dependent reactivity, whereas the clusters Ir8 and Ir10 without solid support may be of size-independent reactivity, even they may not possess catalytic activity.",

author = "Feng, \{Jian Nan\} and Huang, \{Xu Ri\} and Li, \{Ze Sheng\}",

year = "1997",

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doi = "10.1016/S0009-2614(97)00840-3",

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journal = "Chemical Physics Letters",

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TY - JOUR

T1 - A theoretical study on the clusters Irn with n = 4, 6, 8, 10

AU - Feng, Jian Nan

AU - Huang, Xu Ri

AU - Li, Ze Sheng

PY - 1997/9/26

Y1 - 1997/9/26

N2 - For investigating the hydrocarbon hydrogenation catalytic activity of metal particles which become size-dependent as the particles which become so small as clusters, the clusters Irn with n = 4, 6, 8, 10 are studied by using effectvie core potential (10s5p3d)/[2s1p1d] basis set of Gaussian-94 program. THe calculated result shows that for spin singlet, the clusters Ir4 and Ir6 without solid support are of size-dependent reactivity, whereas the clusters Ir8 and Ir10 without solid support may be of size-independent reactivity, even they may not possess catalytic activity.

AB - For investigating the hydrocarbon hydrogenation catalytic activity of metal particles which become size-dependent as the particles which become so small as clusters, the clusters Irn with n = 4, 6, 8, 10 are studied by using effectvie core potential (10s5p3d)/[2s1p1d] basis set of Gaussian-94 program. THe calculated result shows that for spin singlet, the clusters Ir4 and Ir6 without solid support are of size-dependent reactivity, whereas the clusters Ir8 and Ir10 without solid support may be of size-independent reactivity, even they may not possess catalytic activity.

UR - https://www.scopus.com/pages/publications/0031587255

U2 - 10.1016/S0009-2614(97)00840-3

DO - 10.1016/S0009-2614(97)00840-3

M3 - Article

AN - SCOPUS:0031587255

SN - 0009-2614

VL - 276

SP - 334

EP - 338

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

A theoretical study on the clusters Ir_n with n = 4, 6, 8, 10

Abstract

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