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Mingfei Zhou

Publications and source records attributed to Mingfei Zhou.

25 records · Page 2Linked to original sources
PubMed2004

Reactions of silicon atoms and small clusters with CO: experimental and theoretical characterization of SinCO (n=1-5), Si2(CO)2, c-Si2(mu-O)(mu-CSi), and c-Si2(mu-O)(mu-CCO) in solid argon.

Reactions of silicon atoms and small clusters with carbon monoxide molecules in solid argon have been studied using matrix isolation infrared absorption spectroscopy. In addition to the previously reported SiCO monocarbonyl, Si(2)(CO)(2) and Si(n)CO (n=2-5) carbonyl molecules were formed spontaneously on annealing and were characterized on the basis of isotopic substitution and theoretical calculations. It was found that Si(2)CO, Si(3)CO, and Si(5)CO are bridge-bonded carbonyl compounds, whereas Si(4)CO is a terminal-bonded carbonyl molecule. The Si(2)(CO)(2) and Si(3)CO molecules photochemically rearranged to the more stable c-Si(2)(mu-O)(mu-CCO) and c-Si(2)(mu-O) (mu-CSi) isomers where Si(2) is inserted into the CO triple bond.

Journal Article↗
PubMed2004

C-C double- and triple-bond formation from reactions of B atoms with CO: experimental and theoretical characterization of OBBCCO and OBCCBO molecules in solid argon.

Reactions of boron atoms with CO molecules in solid argon form the following boron carbonyl species (which have been reported earlier): BCO, BBCO, OCBBCO, B(CO)2, and B4(CO)2. The OCBBCO molecule underwent a photochemical rearrangement where CO was activated to form the OBBCCO and OBCCBO molecules. The new molecules were identified on the basis of isotopic IR studies with 10B, 11B, 13C16O, 12C18O, and carbon dioxide mixtures in addition to comparison with quantum-chemical calculations of isotopic frequencies. Theoretical analyses showed that the OBBCCO and OBCCBO molecules are linear with C-C double and triple bonding, respectively, and lie at a much lower energy than the linear OCBBCO structure.

Journal Article↗
PubMed2003

Experimental and theoretical characterization of H(2)OOO(+).

This report presents the preparation and characterization of H2OOO+, an important intermediate in water-oxygen chemistry. The H2OOO+ cation was produced by co-deposition of H2O/Ar with radio frequency discharged O2/Ar at 4 K and was identified by four fundamental infrared absorptions. Quantum chemical calculations indicate a doublet ground state with a H2O-O2 hemi-bonded Cs structure.

Models, Molecular↗
PubMed2003

Reactions of B atoms and clusters with NO: experimental and theoretical characterization of novel molecules containing B, N, and O.

Reactions of boron atoms and clusters with NO molecules in solid argon have been studied using matrix isolation infrared absorption spectroscopy. The reaction products were identified by isotopic substitution ((10)B, (11)B, (15)N(16)O, (14)N(18)O, and mixtures) and comparison with density functional calculations of isotopic frequencies. In solid argon, boron atoms spontaneously reacted with NO to form the insertion molecule NBO. The BNBO and OBNNO molecules were formed by the B and NO addition reactions to NBO. The linear BBNO and BBBNO nitrosyls also were formed spontaneously on annealing. These molecules photochemically rearranged to the more stable BNBO and BNBBO isomers, which have linear polyyne-like structures. The photosensitive OBNNO molecule decomposed to form the NNBO(2) van der Waals complex. In addition, the novel OBON diradical was also formed on photolysis in high-concentration NO experiments.

Journal Article↗
PubMed2002

B4CO2: a new, observable sigma-pi diradical.

A new sigma-pi diradical, B4(CO)2, prepared in matrix isolation, was characterized unambiguously by isotopic-substitution infrared spectroscopy and by theoretical computations. Both open-shell singlet and triplet states have three pi electrons but are aromatic with moderately large NICS values. Quantum chemical calculations at various levels indicate that the open-shell singlet is slightly more stable than the triplet state. However, the singlet and triplet are computed to have very similar IR features which do not allow experimental differentiation.

Journal Article↗
PubMed2002

OCBBCO: a neutral molecule with some boron-boron triple bond character.

Molecules that contain boron-boron multiple bonds are extremely rare due to the electron-deficient nature of boron. Here we report experimental and theoretical evidence of a neutral OCBBCO molecule with some boron-boron triple bond character. The molecule was produced and unambiguously characterized by matrix isolation infrared spectroscopy. Quantum chemical calculations indicate that the molecule has a linear singlet ground state with a very short boron-boron bond length.

Journal Article↗