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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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Quantum mechanical ab initio calculations at the MP2 and CCSD(T) level of theory have been used to investigate the geometries and bond energies of the complexes M(CO)6–x(H2)x (M = Cr, Mo, W; x = 1, 2, 3). The theoretically predicted M(CO)5–(H2) bond dissociation energies are in excellent agreement with experimental values. The M–(H2) dissociation energies of the bis- and tris-dihydrogen complexes are very similar to the values for the mono-dihydrogen complexes. In M(CO)5(H2) the dihydrogen ligand prefers an eclipsed conformation relative to the equatorial carbonyl groups. For M(CO)4(H2)2 the cis and trans isomers are nearly equal in energy for M = W, while a cis configuration is favoured for M = Cr. For M(CO)3(H2)3 the facial configurations are more stable than the meridial structures for all three metals M. The charge decomposition analysis (CDA) classifies dihydrogen as a donor ligand with moderate acceptor properties. In trans-M(CO)4(H2)2 back donation is increased and the M–(H2) bonds are stronger than in M(CO)5–(H2). Back donation in M(CO)3(H2)3 is slightly weaker than in the mono-dihydrogen complexes M(CO)5(H2). 相似文献
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Balazs Reffy Maria Kolonits Axel Schulz Thomas M. Klapoetke Magdolna Hargittai 《ChemInform》2000,31(24):no-no
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option. 相似文献