publications
69. High-resolution spectroscopy and structure of heavy carbon subchalcogenides: Tricarbonselenide C3Se
T. Salomon, W.G.D.P. Silva, J. Dudek, J. Gauss, S. Schlemmer, J. van Wijngaarden and S. Thorwirth, Journal of Physical Chemistry A, accepted Sept 27, 2024.68. Disentangling the conformational space and structural preferences of tetrahydrofurfuryl alcohol using
rotational spectroscopy and computational chemistry
W.G.D.P. Silva and J. van Wijngaarden, Chem Phys Chem, 25, e202400298 (2024). 67. Exploring the conformational landscape, hydrogen bonding and internal dynamics in the diallylether and diallylsulfide monohydrates W.G.D.P. Silva, Tamanna Poonia and J. van Wijngaarden, Journal of Chemical Physics, 160, 044302 (2024).66.Exploring the distinct conformational preferences of allyl ethyl ether and allyl ethyl sulfide using
rotational spectroscopy and computational chemistry
T. Poonia and J. van Wijngaarden, Journal of Chemical Physics, 158, 224301 (2023). 65.Dramatic differences in the conformational equilibria of chalcogen-bridged compounds: The case of diallyl ether versus diallyl sulfide T. Poonia, W.G.D.P. Silva and J. van Wijgnaarden, Phys Chem Chem Phys, 24, 240-248 (2022).64. Hydrogen bonding networks and cooperativity effects in the aqueous solvation of trimethylene oxide
and sulfide rings by microwave spectroscopy and computational chemistry
W.G.D.P. Silva and J. van Wijngaarden, Journal of Chemical Physics, 155, 034305 (2021).63. Analysis of the Complex Quadrupole Hyperfine Patterns for Two Chlorine Nuclei in the Rotational
Spectrum of 2,5-Dichlorothiophene
G. Daudet and J. van Wijngaarden, Journal of Physical Chemistry A, 125, 6089-6095 (2021).62. Characterization of large amplitude motions and hydrogen bonding interactions in the thiophene-
water complex by rotational spectroscopy
W.G.D.P. Silva and J. van Wijngaarden, Journal of Physical Chemistry A, 125, 16, 3425-3431 (2021).61. Conformational preferences of diallylamine: A rotational spectroscopic and theoretical study
W.G.D.P. Silva, G. Daudet, S. Perez, S. Thorwirth and J. van Wijngaarden, Journal of Chemical Physics, 154, 164303 (2021).60. Exploring the non-covalent interactions behind the formation of amine-water complexes: The case of
N-allylmethylamine monohydrate
W.G.D. P. Silva, T. Poonia and J. van Wijngaarden, Physical Chemistry Chemical Physics, 23, 12, 7368-7375 (2021).59. Rotational spectrum and quantum chemical calculations of methyl cyanoacetate: a compound of
potential astrochemical interest
C. Gregory, W.G.D.P. Silva and J. van Wijngaarden, Journal of Molecular Spectroscopy, 377, 111444 (2021).58. Targeting the rich conformational landscape of N-allylmethylamine using rotational spectroscopy and
quantum mechanical calculations
W.G.D.P. Silva, T. Poonia and J. van Wijngaarden, ChemPhysChem, 21, 2515-2522 (2020) COVER FEATURE57. Investigation of the Rotamers of 3-Furfural by Microwave Spectroscopy
C. Gregory and J. van Wijngaarden, Journal of Molecular Spectroscopy, 373, 111374 (2020).56. Derivation of an accurate geometry of 2-fluoroaniline from rotational spectroscopy and
computational chemistry
T. Poonia, W. G. D. P. Silva and J. van Wijngaarden, Journal of Molecular Structure, 1225, 129100 (2021).55. Analysis of the Coriolis perturbed rovibrational spectrum of the C-O asymmetric stretch and C-C
symmetric stretch of trimethylene oxide
O. Mahassneh and J. van Wijngaarden, Journal of Molecular Spectroscopy, 371, 111322 (2020).54. The Conformers of Allyl-Isothiocyanate: A Combined Microwave Spectroscopy and Computational
Study
J. Stitsky, W.G.D.P. Silva, W. Sun and J. van Wijngaarden, Journal of Physical Chemistry A, 124, 3876-3885 (2020).53. Rotational Spectroscopic and Ab Initio Investigation of the Rotamer Geometries of 2-Fluoroanisole and
3-Fluoroanisole
K. Bergmann and J. van Wijngaarden, Journal of Physical Chemistry A, 124, 2270-2278 (2020).52. Dispersion-driven conformational preference in the gas phase: Microwave spectroscopic and
theoretical study of allyl isocyanate
W. Sun, O. Sogeke, W. G. D. P. Silva J. van Wijngaarden, Journal of Chemical Physics, 151, 194304 (2019).51. Internal Motions and Sulfur Hydrogen Bonding in Methyl-3-Mercaptopropionate
W. G. D. P. Silva, L. Evangelisti and J. van Wijngaarden, Journal of Physical Chemistry A, 123, 9840-9849 (2019).50. Sulfur as a hydrogen bond donor in the gas phase: Rotational spectroscopic and computational study
of 3-mercaptopropionic acid
W. G. D. P. Silva and J. van Wijngaarden, Journal of Molecular Spectroscopy, 362, 1-7 (2019). EDITOR’s CHOICE for COVER49. Rotational Spectra and Structures of Phenyl Isocyanate and Phenyl Isothiocyanate
W. Sun, W. G. D. P. Silva and J. van Wijngaarden, Journal of Physical Chemistry A, 123, 2351-2360 (2019).48. Isothiocyanato-Containing Carbon Chains: The Laboratory Detection of HCCCCNCS and NCCCNCS
via Rotational Spectroscopy
W. Sun and J. van Wijngaarden, Journal of Physical Chemistry A, 122, 7659-7665 (2018).47.A highly flexible molecule: The peculiar case of ethynyl isothiocyanate
W. Sun, R. L. Davis, S. Thorwirth, M. E. Harding and J. van Wijngaarden, Journal of Chemical Physics, 149, 104304 (2018).46. Fourier Transform Microwave Spectroscopic and ab Initio Study of the Rotamers of 2-
Fluorobenzaldehyde and 3-Fluorobenzaldehyde
W. Sun, I. B. Lozada and J. van Wijngaarden, Journal of Physical Chemistry A, 122, 2060-2068 (2018).45. Structural elucidation of 2-fluorothiophenol from Fourier transform microwave spectra and ab initio
calculations
W. Sun and J. van Wijngaarden, Journal of Molecular Structure, 114, 495-501 (2017).44. Newly assigned microwave transitions and a global analysis of the combined microwave/millimeter
wave rotational spectra of 9-fluorenone and benzophenone
C. West, G. Sedo and J. van Wijngaarden, Journal of Molecular Spectroscopy, 335, 43-48 (2017).43. Rotational spectra and conformer geometries of 2-fluorophenol and 3-fluorophenol
A. Bell, J. Singer, D. Desmond, O. Mahassneh and J. van Wijngaarden, Journal of Molecular Spectroscopy, 331, 53-59 (2017).42. An ASAP treatment of vibrationally excited S2O: The nu3 mode and the nu3 + nu2−nu2 hot band
S. Thorwirth, M.A. Martin-Drumel, C.P. Endres, T. Salomon, O. Zingsheim, J. van Wijngaarden, O. Pirali, S. Gruet, F. Lewen, S. Schlemmer, M.C. McCarthy, Journal of Molecular Spectroscopy, 319, 47-49 (2016).41. Exploring molecular complexity with ALMA (EMoCA): alkanethiols and alkanols in Sagittarius B2(N2)
H. S. P. Mueller, A. Belloche, L. H. Xu, R. Lees, R. Garrod, A. Walters, J. van Wijngaarden, F. Lewen, S. Schlemmer, K. Menten, Astronomy and Astrophysics, i587, A92 (2016).40. Conformational Exploration of Enflurane in Solution and in a Biological Environment
L. Andrade, J. Silla, S. Stephens, K. Marat, E. da Cunha, T. Ramalho, J. van Wijngaarden and M. Freitas, Journal of Physical Chemistry A, 119, 10735-10742 (2015).
vW Research Lab
© J. van Wijngaarden 2024
York
University
recognizes
that
many
Indigenous
Nations
have
longstanding
relationships
with
the
territories
upon
which
York
University
campuses
are
located
that
precede
the
establishment
of
York
University.
York
University acknowledges
its
presence
on
the
traditional
territory
of
many
Indigenous
Nations.
The
area
known
as
Tkaronto
has
been
care
taken
by
the
Anishinabek
Nation,
the
Haudenosaunee
Confederacy,
and
the
Huron-Wendat.
It
is
now
home
to
many
First
Nation,
Inuit
and
Métis
communities.
We acknowledge
the
current
treaty
holders,
the
Mississaugas
of
the Credit
First
Nation. This territory is subject of the Dish with One Spoon Wampum Belt Covenant, an agreement to peaceably share and care for the Great Lakes region.
publications
69. High-resolution spectroscopy and structure of
heavy carbon subchalcogenides: Tricarbonselenide
C3Se
T. Salomon, W.G.D.P. Silva, J. Dudek, J. Gauss, S. Schlemmer, J. van Wijngaarden and S. Thorwirth, Journal of Physical Chemistry A, accepted Sept 27, 2024.68. Disentangling the conformational space and
structural preferences of tetrahydrofurfuryl alcohol
using rotational spectroscopy and computational
chemistry
W.G.D.P. Silva and J. van Wijngaarden, Chem Phys Chem, 25, e202400298 (2024). 67. Exploring the conformational landscape, hydrogen bonding and internal dynamics in the diallylether and diallylsulfide monohydrates W.G.D.P. Silva, Tamanna Poonia and J. van Wijngaarden, Journal of Chemical Physics, 160, 044302 (2024).66.Exploring the distinct conformational preferences
of allyl ethyl ether and allyl ethyl sulfide using
rotational spectroscopy and computational
chemistry
T. Poonia and J. van Wijngaarden, Journal of Chemical Physics, 158, 224301 (2023). 65.Dramatic differences in the conformational equilibria of chalcogen-bridged compounds: The case of diallyl ether versus diallyl sulfide T. Poonia, W.G.D.P. Silva and J. van Wijgnaarden, Phys Chem Chem Phys, 24, 240-248 (2022).64. Hydrogen bonding networks and cooperativity
effects in the aqueous solvation of trimethylene
oxide and sulfide rings by microwave spectroscopy
and computational chemistry
W.G.D.P. Silva and J. van Wijngaarden, Journal of Chemical Physics, 155, 034305 (2021).63. Analysis of the Complex Quadrupole Hyperfine
Patterns for Two Chlorine Nuclei in the Rotational
Spectrum of 2,5-Dichlorothiophene
G. Daudet and J. van Wijngaarden, Journal of Physical Chemistry A, 125, 6089-6095 (2021).62. Characterization of large amplitude motions and
hydrogen bonding interactions in the thiophene-
water complex by rotational spectroscopy
W.G.D.P. Silva and J. van Wijngaarden, Journal of Physical Chemistry A, 125, 16, 3425-3431 (2021).61. Conformational preferences of diallylamine: A
rotational spectroscopic and theoretical study
W.G.D.P. Silva, G. Daudet, S. Perez, S. Thorwirth and J. van Wijngaarden, Journal of Chemical Physics, 154, 164303 (2021).60. Exploring the non-covalent interactions behind
the formation of amine-water complexes: The case
of N-allylmethylamine monohydrate
W.G.D. P. Silva, T. Poonia and J. van Wijngaarden, Physical Chemistry Chemical Physics, 23, 12, 7368-7375 (2021).59. Rotational spectrum and quantum chemical
calculations of methyl cyanoacetate: a compound of
potential astrochemical interest
C. Gregory, W.G.D.P. Silva and J. van Wijngaarden, Journal of Molecular Spectroscopy, 377, 111444 (2021).58. Targeting the rich conformational landscape of
N-allylmethylamine using rotational spectroscopy
and quantum mechanical calculations
W.G.D.P. Silva, T. Poonia and J. van Wijngaarden, ChemPhysChem, 21, 2515-2522 (2020) COVER FEATURE57. Investigation of the Rotamers of 3-Furfural by
Microwave Spectroscopy
C. Gregory and J. van Wijngaarden, Journal of Molecular Spectroscopy, 373, 111374 (2020).56. Derivation of an accurate geometry of 2-
fluoroaniline from rotational spectroscopy and
computational chemistry
T. Poonia, W. G. D. P. Silva and J. van Wijngaarden, Journal of Molecular Structure, 1225, 129100 (2021).55. Analysis of the Coriolis perturbed rovibrational
spectrum of the C-O asymmetric stretch and C-C
symmetric stretch of trimethylene oxide
O. Mahassneh and J. van Wijngaarden, Journal of Molecular Spectroscopy, 371, 111322 (2020).54. The Conformers of Allyl-Isothiocyanate: A
Combined Microwave Spectroscopy and
Computational Study
J. Stitsky, W.G.D.P. Silva, W. Sun and J. van Wijngaarden, Journal of Physical Chemistry A, 124, 3876-3885 (2020).53. Rotational Spectroscopic and Ab Initio
Investigation of the Rotamer Geometries of 2-
Fluoroanisole and 3-Fluoroanisole
K. Bergmann and J. van Wijngaarden, Journal of Physical Chemistry A, 124, 2270-2278 (2020).52. Dispersion-driven conformational preference in
the gas phase: Microwave spectroscopic and
theoretical study of allyl isocyanate
W. Sun, O. Sogeke, W. G. D. P. Silva J. van Wijngaarden, Journal of Chemical Physics, 151, 194304 (2019).51. Internal Motions and Sulfur Hydrogen Bonding in
Methyl-3-Mercaptopropionate
W. G. D. P. Silva, L. Evangelisti and J. van Wijngaarden, Journal of Physical Chemistry A, 123, 9840-9849 (2019).50. Sulfur as a hydrogen bond donor in the gas
phase: Rotational spectroscopic and computational
study of 3-mercaptopropionic acid
W. G. D. P. Silva and J. van Wijngaarden, Journal of Molecular Spectroscopy, 362, 1-7 (2019). EDITOR’s CHOICE for COVER49. Rotational Spectra and Structures of Phenyl
Isocyanate and Phenyl Isothiocyanate
W. Sun, W. G. D. P. Silva and J. van Wijngaarden, Journal of Physical Chemistry A, 123, 2351-2360 (2019).48. Isothiocyanato-Containing Carbon Chains: The
Laboratory Detection of HCCCCNCS and NCCCNCS
via Rotational Spectroscopy
W. Sun and J. van Wijngaarden, Journal of Physical Chemistry A, 122, 7659-7665 (2018).47.A highly flexible molecule: The peculiar case of
ethynyl isothiocyanate
W. Sun, R. L. Davis, S. Thorwirth, M. E. Harding and J. van Wijngaarden, Journal of Chemical Physics, 149, 104304 (2018).46. Fourier Transform Microwave Spectroscopic and
ab Initio Study of the Rotamers of 2-
Fluorobenzaldehyde and 3-Fluorobenzaldehyde
W. Sun, I. B. Lozada and J. van Wijngaarden, Journal of Physical Chemistry A, 122, 2060-2068 (2018).45. Structural elucidation of 2-fluorothiophenol from
Fourier transform microwave spectra and ab initio
calculations
W. Sun and J. van Wijngaarden, Journal of Molecular Structure, 114, 495-501 (2017).44. Newly assigned microwave transitions and a
global analysis of the combined
microwave/millimeter wave rotational spectra of 9-
fluorenone and benzophenone
C. West, G. Sedo and J. van Wijngaarden, Journal of Molecular Spectroscopy, 335, 43-48 (2017).43. Rotational spectra and conformer geometries of
2-fluorophenol and 3-fluorophenol
A. Bell, J. Singer, D. Desmond, O. Mahassneh and J. van Wijngaarden, Journal of Molecular Spectroscopy, 331, 53-59 (2017).42. An ASAP treatment of vibrationally excited S2O:
The nu3 mode and the nu3 + nu2−nu2 hot band
S. Thorwirth, M.A. Martin-Drumel, C.P. Endres, T. Salomon, O. Zingsheim, J. van Wijngaarden, O. Pirali, S. Gruet, F. Lewen, S. Schlemmer, M.C. McCarthy, Journal of Molecular Spectroscopy, 319, 47-49 (2016).41. Exploring molecular complexity with ALMA
(EMoCA): alkanethiols and alkanols in Sagittarius
B2(N2)
H. S. P. Mueller, A. Belloche, L. H. Xu, R. Lees, R. Garrod, A. Walters, J. van Wijngaarden, F. Lewen, S. Schlemmer, K. Menten, Astronomy and Astrophysics, i587, A92 (2016).40. Conformational Exploration of Enflurane in
Solution and in a Biological Environment
L. Andrade, J. Silla, S. Stephens, K. Marat, E. da Cunha, T. Ramalho, J. van Wijngaarden and M. Freitas, Journal of Physical Chemistry A, 119, 10735-10742 (2015).
vW Research Lab
© J. van Wijngaarden 2024