publications

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 FEATURE

57. 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 COVER

49. 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).