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Toward the Observation of the Tin and Lead Analogs of Formaldehyde

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
 [1];  [2];  [2];  [2]
  1. The Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia30602, United States; OSTI
  2. The Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia30602, United States

Not provided.

Research Organization:
Univ. of Florida, Gainesville, FL (United States); Univ. of Georgia, Athens, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0018164; SC0018412
OSTI ID:
2420730
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 43 Vol. 126; ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (55)

Basis Set Exchange:  A Community Database for Computational Sciences journal March 2007
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited journal December 2002
Toward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers journal June 2004
Benchmark ab initio calculations of formaldehyde, H2CO journal July 1997
MR CI calculations of the low-lying excited states of silanone (H2SiO) journal August 1986
Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of formaldehyde journal January 1974
A theoretical survey of singly bonded silicon compounds. Comparison of the structures and bond energies of silyl and methyl derivatives journal January 1986
Theoretical studies of dissociation pathways on the ground state potential energy surface for HXGeO (X=H, F, Cl, and Br) journal November 1999
Anharmonic potential function of formaldehyde journal March 1977
Matrix-Isolation Infrared Spectroscopic and Density Functional Theory Studies on Reactions of Laser-Ablated Lead and Tin Atoms with Water Molecules journal November 2007
Developments in the Theory of the Secular Equation for Molecular Vibrations journal November 1949
Comparative ab Initio Study of Molecular Structures and Relative Stabilities of Germanone, Germathione, Germaselenone, and Their Structural Isomers journal March 1998
Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods journal February 1990
Basis-set convergence of the energy in molecular Hartree–Fock calculations journal March 1999
The heat of formation of NCO journal September 1993
Chemical Tricks To Stabilize Silanones and Their Heavier Homologues with EO Bonds (E=Si-Pb): From Elusive Species to Isolable Building Blocks journal March 2013
Matrix reactions of germane and oxygen atoms: infrared spectroscopic evidence of germylene-water complex, germanone, germanol, hydroxygermylene, and germanic acid journal March 1990
Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post- d group 16–18 elements journal December 2003
Small-core multiconfiguration-Dirac–Hartree–Fock-adjusted pseudopotentials for post- d main group elements: Application to PbH and PbO journal August 2000
H2XO and (CH3)2XO Compounds (X = C, Si, Ge, Sn, Pb):  Double Bonds vs Carbene-Like StructuresCan the Metal Compounds Exist at All? journal January 1996
How to VPT2: Accurate and Intuitive Simulations of CH Stretching Infrared Spectra Using VPT2+K with Large Effective Hamiltonian Resonance Treatments journal January 2021
A fifth-order perturbation comparison of electron correlation theories journal May 1989
Theoretical study of silanone. Thermodynamic and kinetic stability journal June 1984
The Molpro quantum chemistry package journal April 2020
The general harmonic force field of formaldehyde journal December 1973
Acid–Base Free Main Group Carbonyl Analogues journal October 2020
Ab initioand density functional theory study of lead complexes of atmospheric interest Pb(H2), Pb(OH), Pb(H2O), Pb(HO2) and Pb(OH)2 journal January 2005
Why CCSD(T) works: a different perspective journal December 1997
The Spectroscopy of Formaldehyde and Thioformaldehyde journal October 1983
A Note on the Classification of Normal Vibrations of Molecules journal November 1952
Anharmonic Force Fields and Accurate Thermochemistry of H2SiO, cis-HSiOH, and trans-HSiOH journal January 1998
Molecular core-valence correlation effects involving the post-d elements Ga–Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets journal November 2010
On isotopic substitution and the choice between alternative sets of force constants; with special reference to the cases of ethylene, ketene, diazomethane and formaldehyde journal September 1971
Quantum mechanical stability of reaction coordinate in the unimolecular reaction of silanone journal July 1986
Formaldehyde (Walker, J. Frederic) journal June 1945
Many – Body Methods in Chemistry and Physics book January 2009
Matrix isolation studies of the reactions of silicon atoms. I. Interaction with water: The infrared spectrum of hydroxysilylene HSiOH journal August 1982
Matrix-Isolation Infrared Spectroscopic and Theoretical Studies on Reactions of Laser-Ablated Germanium Atoms with Water Molecules journal June 2007
Distribution of Kinetic and Potential Energy in Vibrating Molecules journal October 1954
The role of databases in support of computational chemistry calculations journal October 1996
Matrix reactions of silane and oxygen atoms. Infrared spectroscopic evidence for the silanol, silanone, and silanoic and silicic acid molecules journal July 1985
An Accurate ab Initio Quartic Force Field for Formaldehyde and Its Isotopomers journal July 1993
Toward the observation of silanone (H2SiO) and hydroxysilylene (HSiOH) via microwave spectroscopy journal August 1994
Vibrational calculations in formaldehyde: the CH stretch system journal June 2011
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community journal October 2019
In pursuit of the ab initio limit for conformational energy prototypes journal June 1998
A heavier-element ketone at last journal March 2012
Definitive Ab Initio Studies of Model SN2 Reactions CH3X+F (X=F, Cl, CN, OH, SH, NH2, PH2) journal May 2003
Rotation-induced vibrational mixing in X̃ 1A1 formaldehyde: Non−negligible dynamical consequences of rotation journal February 1985
P si4 1.4: Open-source software for high-throughput quantum chemistry journal May 2020
Reactions of H2XXH2 and H2XO Double Bonds (X = Si, Ge, Sn, Pb):  Are 1,3-Dioxa-2,4-dimetaletanes Unusual Molecules? journal September 1997
A stable germanone as the first isolated heavy ketone with a terminal oxygen atom journal March 2012
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen journal January 1989
Sources of error in electronic structure calculations on small chemical systems journal February 2006
Basis-set convergence of correlated calculations on water journal June 1997

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