Gas phase ion-molecule reactions of monogermane with oxygen and ammonia

Benzi, Paola; Operti, Lorenza; Vaglio, Gian Angelo; Volpe, P.; Speranca, Maurizio; Gabrielli, Roberto

doi:10.1016/0022-328x(88)80637-5

Cited by 32 publications

(18 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14] These investigations were aimed at extending the fundamental knowledge of ion-molecule reactions and their mechanisms. Moreover, an understanding of the ion chemistry of these systems can be useful in the improvement of the deposition of amorphous semiconductor films by radiolytic methods.…”

Section: Introductionmentioning

confidence: 99%

Gas Phase Ion−Molecule Reactions in Phosphine/Silane Mixtures

Antoniotti¹,

Operti²,

Ragazzoni³

et al. 1996

J. Phys. Chem.

Self Cite

View full text Add to dashboard Cite

Phosphine/silane mixtures have been investigated by ion trap mass spectrometry, and reaction pathways together with rate constants of the main reactions are reported. Mechanisms of ion-molecule reactions have been elucidated by single and multiple isolation steps, and exact mass measurements have been performed by Fourier transform mass spectrometry. The SiH n + (n ) 0-3) ions react with phosphine to give SiPH n + (n ) 1-4) ions. These ions further react and yield SiP 2 H n + (n ) 2-5) and Si 2 PH n + (n ) 3-7) ions, which, in turn, react following different pathways with silane or phosphine to give Si 2 P 2 H n + (n ) 5, 6, 8) and Si 3 PH n + (n ) 5-7), respectively. Mixed SiPH n + (n ) 1-4) ions also originate from the PH n + (n ) 0, 1) phosphine primary ions, as well as from the P 2 H n + (n ) 0-3) secondary ions of phosphine. Protonation of phosphine from several ionic precursors is a very common process and yields the stable phosphonium ion, PH 4 + . Trends in total abundances of tertiary SiP 2 H n + (n ) 2-4) and Si 2 PH n + (n ) 3-7) ions as a function of reaction time for different PH 3 /SiH 4 pressure ratios show that excess of silane favors the nucleation of mixed Si-P ions. The mechanism and energetics of the reaction of Si + with PH 3 have been investigated by ab initio calculations, and the most stable structure of the SiPH + product, with a hydrogen bridge between silicon and phosphorus, has been identified.

show abstract

Section: Introductionmentioning

confidence: 99%

Gas Phase Ion−Molecule Reactions in Phosphine/Silane Mixtures

Antoniotti¹,

Operti²,

Ragazzoni³

et al. 1996

J. Phys. Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

“…Reactions of the primary ions obtained by electron ionization of GeH 4 with the neutral monogermane precursor have been characterized both by low-and high-pressure mass spectrometric techniques 131,132 , and more recently by ion trap techniques (ITMS) 133 . The ability to select a particular isotopic species (usually the 70 Ge-containing ion) in low pressure studies carried out by Fourier Transform Mass Spectrometry (FTMS) has been essential in understanding the mechanism of these processes.…”

Section: A Thermochemistry Structure and Reactivity Related To The mentioning

confidence: 99%

“…This unusual reaction has been proposed to occur via a four-center mechanism 131 . While no structural information was derived from the original experiments, calculations at the HF level predict that a linear structure corresponding to protonated germanium oxide, GeOH + , is considerably more stable than the alternative linear HGeO + structure 151 .…”

Section: A Thermochemistry Structure and Reactivity Related To The mentioning

confidence: 99%

“…The notable exception is GeH 2 + , which undergoes significant reaction to yield both GeNH 4 + and GeNH 3 + (structures unknown) by hydrogen elimination 131,149 . The secondary product Ge 2 H 2 +• , as in the above reaction, also reacts with NH 3 by elimination of hydrogen through the reaction in equation 14.…”

Section: A Thermochemistry Structure and Reactivity Related To The mentioning

confidence: 99%

See 1 more Smart Citation

Gas‐Phase Chemistry and Mass Spectrometry ofGe‐,Sn‐ andPb‐Containing Compounds

Riveros

Takashima

2009

Patai's Chemistry of Functional Groups

View full text Add to dashboard Cite

Introduction Mass Spectrometry of Ge , Sn and Pb Derivatives Gas‐Phase Ion Chemistry Gas‐Phase Chemistry of Neutral Ge , Sn and Pb Species Acknowledgments

show abstract

“…1 They observed formation of GeH n O 2 ϩ (nϭ0,1) and GeH n O ϩ (nϭ0 -3) ions in the GeH 4 /O 2 mixture. The most abundant species is GeHO ϩ , which originates in the reaction of Ge 2 H 2 ϩ with one O 2 molecule as demonstrated by FTMS.…”

Section: Introductionmentioning

confidence: 96%

The GeOH+–HGeO+ system: A detailed quantum mechanical study

Yamaguchi

Richards

Schaefer

1995

The Journal of Chemical Physics

View full text Add to dashboard Cite

A detailed statetostate lowenergy dynamics study of the reaction O(3 P)+OH(2Π)→O2(X3Σ g −)+H(2 S) using a quasiclassical trajectory-internalenergy quantummechanicalthreshold method J. Chem. Phys. 97, 4050 (1992); 10.1063/1.463934The detailed balance condition in quantum statistical mechanicsThe ground state potential energy hypersurface of the GeOH ϩ -HGeO ϩ system has been investigated employing ab initio electronic structure theory. First, geometries of two equilibrium and isomerization ͑1,2 hydrogen shift͒ reaction transition state were determined at the self-consistent-field ͑SCF͒, configuration interaction with single and double excitations ͑CISD͒, coupled cluster with single and double excitations ͑CCSD͒, and CCSD with perturbative triple excitations ͓CCSD͑T͔͒ levels of theory using four basis sets. A qualitatively incorrect geometry is predicted for GeOH ϩ unless f functions are included in the basis set. Second, physical properties including dipole moments, harmonic vibrational frequencies, and infrared ͑IR͒ intensities of three stationary points were evaluated at the optimized geometries. The effects of electron correlation reduce the dipole moment of HGeO ϩ by 1.25 Debye. At the highest level of theory employed in this study, CCSD͑T͒ using the triple zeta plus double polarization with diffuse and higher angular momentum functions ͓TZ2P( f ,d)ϩdiff͔ basis set, linear GeOH ϩ is predicted to be more stable than linear HGeO ϩ by 71.7 kcal/mol. After correction for zero-point vibrational energies ͑ZPVEs͒, this energy difference becomes 70.3 kcal/mol. With the same method the classical barrier height for the exothermic isomerization ͑1,2 hydrogen shift͒ reaction HGeO ϩ →GeOH ϩ is determined to be 30.3 kcal/mol and the activation energy ͑with the ZPVE correction͒ is 28.0 kcal/mol. The predicted dipole moments of GeOH ϩ and HGeO ϩ are 0.61 and 4.64 Debye, respectively. Thus, the HGeO ϩ ion may be suitable for a microwave spectroscopic investigation. On the other hand, the GeOH ϩ ion may be suitable for an IR spectroscopic study due to the strong IR intensities of the three vibrational modes. The geometrical and energetic features are compared with those of the valence isoelectronic HCO ϩ -COH ϩ and SiOH ϩ -HSiO ϩ systems.

show abstract

Gas phase ion-molecule reactions of monogermane with oxygen and ammonia

Cited by 32 publications

References 13 publications

Gas Phase Ion−Molecule Reactions in Phosphine/Silane Mixtures

Gas Phase Ion−Molecule Reactions in Phosphine/Silane Mixtures

Gas‐Phase Chemistry and Mass Spectrometry ofGe‐,Sn‐ andPb‐Containing Compounds

The GeOH+–HGeO+ system: A detailed quantum mechanical study

Contact Info

Product

Resources

About