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Weakly
bound
intermolecular
complexes
|
- (H2O)2...HCl:
Z.Kisiel, E.Bialkowska-Jaworska,
L.Pszczolkowski, A.Milet, C.Struniewicz, R.Moszynski, and J.Sadlej,
"Structure and properties of the weakly bound trimer (H2O)2...HCl observed by rotational spectroscopy", J.Chem.Phys.
112, 5767-5776 (2000).
Z.Kisiel, J.Kosarzewski,
B.A.Pietrewicz, and L.Pszczolkowski, "Electric dipole moments of the
cyclic trimers (H2O)2...HCl and (H2O)2...HBr
from
Stark
effects in their rotational spectra", Chem.Phys.Lett. 325,
523-530
(2000).
- (H2O)2...HBr:
Z.Kisiel, B.A.Pietrewicz,
O.Desyatnyk, L.Pszczolkowski, I.Struniewicz, and J.Sadlej, "Structure
and properties of the weakly bound cyclic trimer (H2O)2...HBr observed by rotational spectroscopy", J.Chem.Phys.
119, 5907-5917 (2003).
Z.Kisiel, J.Kosarzewski,
B.A.Pietrewicz, and L.Pszczolkowski, "Electric dipole moments of the
cyclic trimers (H2O)2...HCl and (H2O)2...HBr
from
Stark
effects in their rotational spectra", Chem.Phys.Lett. 325,
523-530
(2000).
- H2O...HCl:
Z.Kisiel,
B.A.Pietrewicz, P.W.Fowler, A.C.Legon, and E.Steiner, "Rotational
spectra of the less common isotopomers, electric dipole moment and the
double minimum inversion potential of H2O...HCl", J.Phys.Chem.A
104, 6970-6978 (2000).
see also: Z.Kisiel, "Least-squares
mass-dependence molecular structures for selected weakly-bound
intermolecular complexes", J.Mol.Spectrosc.
218, 58-67 (2003).
- Ar...HCl: Z.Kisiel and L.Pszczolkowski, "Rotational spectrum and
spectroscopic constants of 36Ar...H35Cl and 40Ar...HCl",
Chem.Phys.Lett. 291,190-196 (1998).
- Arn...HX,
n=2,3, X=F, Cl, Br: Z.Kisiel, E.Bialkowska-Jaworska, and
L.Pszczolkowski, "The experimental electric dipole moments of the ArnHX
van
der
Waals clusters", Chem.Phys.Lett. 333,381-386
(2001).
- Pyrimidine...H2O: S.Melandri, M.E.Sanz, W.Caminati, P.G.Favero, and Z.Kisiel,
"The hydrogen bond between water and aromatic bases of biological
interest: an experimental and theoretical study of the 1:1 complex of
pyrimidine with water", J.Amer.Chem.Soc. 120,
11504-11509 (1998).
- N2...HCl: Z.Kisiel and L.Pszczolkowski, P.W.Fowler, and A.C.Legon,
"Rotational spectrum of 14N2...H35Cl
and 14N2...H37Cl:
electric field gradients at the nitrogen nuclei", Chem.Phys.Lett.
276, 202-209 (1997).
- N2...HBr: Z.Kisiel, B.A.Pietrewicz, and L.Pszczolkowski, "Rotational
spectrum of the most abundant isotopomer of the van der Waals dimer N2...HBr", Acta
Physica
Polonica
A. 101, 231-242 (2002).
- Ar2...HBr:
Z.Kisiel,
B.A.Pietrewicz, and L.Pszczolkowski, "The observation and
characterisation by rotational spectroscopy of the weakly bound trimer
Ar2HBr", J.Chem.Phys. 117,
8248-8255
(2002).
Z.Kisiel,
E.Bialkowska-Jaworska, and L.Pszczolkowski, Chem.Phys.Lett.
333,381-386 (2001) - dipole moment measurement only.
- (H2O...HCl)...Ar:
ms. in prep.
- Ar...HCCCN:
O.Desyatnyk,
J.Kosarzewski, Z.Kisiel, "Observation and properties of the van der
Waals dimer Ar...HCCCN produced in electrical discharge", Acta
Physica Polonica A 104, 415-424 (2003).
Trichloroethylene,
Cl2C=CHCl (a well known solvent):
- Z.Kisiel, E.Bialkowska-Jaworska, and
L.Pszczolkowski, "Nuclear quadrupole coupling in Cl2C=CHCl
and Cl2C=CH2; "Evidence for systematic
differences in orientation between internuclear and field gradient axes
for terminal quadrupolar nuclei", J.Chem.Phys. 109,
10263-10272 (1998).
- Z.Kisiel and L.Pszczolkowski,
"Assignment and analysis of the mm-wave rotational spectrum of
trichloroethylene: observation of a new, extended b.R-band and
an overview of high-J, R-type bands", J.Mol.Spectrosc.
177, 125-137 (1996).
1,1,1-trichloroethane,
Cl3CCH3 (another popular industrial solvent):
- Z.Kisiel, L.Pszczolkowski, G.Cazzoli, L.Dore, "Strong
Coriolis coupling between v5
and v11
states
of
CH3CCl3
studied by millimeter-wave spectroscopy", J.Mol.Spectrosc.
251, 235-240 (2008).
- L.Dore and Z.Kisiel, "Nuclear
quadrupole coupling in 1,1,1-Trichloroethane: Inertial and principal
tensors for 35Cl and 37Cl", J.Mol.Spectrosc.
189, 228-234 (1998).
- Z.Kisiel and L.Pszczolkowski,
"Millimeter wave rotational spectra of the 37Cl species of
1,1,1,-trichloroethane" J.Mol.Spectrosc. 181, 48-55
(1997).
- G.Cazzoli, G.Cotti, L.Dore, and
Z.Kisiel, "The high frequency rotational spectrum of
1,1,1-trichloroethane and the observation of K=3 splitting", J.Mol.Spectrosc.
174, 425-432 (1995).
Chlorobromodifluoromethane,
CBrClF2 (the popular fillant for fire extinguishers, removed
from use following concerns over the well-being of the ozone layer):
- Z.Kisiel, E.Bialkowska-Jaworska, and
L.Pszczolkowski, "Nuclear quadrupole coupling in Cl2C=CHCl
and Cl2C=CH2; Evidence for systematic differences
in orientation between internuclear and field gradient axes for
terminal quadrupolar nuclei", J.Chem.Phys. 109,
10263-10272 (1998).
- Z.Kisiel and L.Pszczolkowski,
"Assignment and analysis of the mm-wave rotational spectrum of
trichloroethylene: observation of a new, extended b.R-band and
an overview of high-J, R-type bands", J.Mol.Spectrosc.
177, 125-137 (1996).
Chlorofluoromethane,
CHF2Cl (the freon CFC-22, widely used as an intermediate
replacement for the CFC-11 and CFC-12 refrigerants which were relegated
from use due to adverse effect on the ozone layer):
- Z.Kisiel, J.L.Alonso, S.Blanco,
G.Cazzoli, J.M.Colmont, G.Cotti, G.Graner, J.C.Lopez, I.Merke, and
L.Pszczolkowski, "Spectroscopic constants for HCFC-22 from rotational
and high-resolution vibration spectra: CHF237Cl
and 13CHF235Cl isotopomers", J.Mol.Spectrosc.
184, 150-155 (1997).
- Z.Kisiel, L.Pszczolkowski, G.Cazzoli,
and G.Cotti, "The millimeter-wave rotational spectrum and Coriolis
interaction in the two lowest excited vibrational states of CHClF2",
J.Mol.Spectrosc. 173, 477-487 (1995).
- G.Klatt, G.Graner, S.Klee, G.Mellau,
Z.Kisiel, L.Pszczolkowski, J.L.Alonso, and J.C.Lopez, "Analysis of the
high-resolution FT-IR and millimeter-wave spectra of the v5=1
state
of
CHF2Cl", J.Mol.Spectrosc. 178,
108-112 (1996).
Methylene
iodide, CH2I2 (a rather taxing problem for rotational
spectroscopy):
- Z.Kisiel, E.Bialkowska-Jaworska,
L.Pszczolkowski, "The <ICI bending satellites in the millimeter-wave
rotational spectra of CH2I2 and CD2I2",
J.Mol.Spectrosc. 199, 5-12 (2000).
- Z.Kisiel, L.Pszczolkowski, L.B.Favero,
and W.Caminati, "An isotopomer of the first molecule containing two
iodine nuclei investigated by microwave spectroscopy", J.Mol.Spectrosc.
189, 283-290 (1998).
- Z.Kisiel, L.Pszczolkowski, W.Caminati,
and P.G.Favero, "First assignment of the rotational spectrum of a
molecule containing two iodine nuclei: spectroscopic constants and
structure of CH2I2", J.Chem.Phys. 105,
1778-1785
(1996).
Bromoform,
CHBr3 (spectrum complicated by hyperfine structure and
multiple isotopic species, which was solved on the basis of a
broadband, supersonic expansion spectrum recorded with
chirped-pulse microwave
techniques):
- Z.Kisiel, A.Krasnicki,
L.Pszczolkowski, S.T.Shipman, L.Alvarez-Valtierra, B.H.Pate,
"Assignment and analysis of the rotational spectrum of bromoform
enabled by broadband FTMW spectroscopy", J.Mol.Spectrosc.
257, 177-186 (2009).
Diethyl
ether, C2H5OC2H5 (the classical anaesthetic):
- Z.Kisiel, L.Pszczolkowski,
I.R.Medvedev, M.Winnewisser, F.C.De Lucia, E.Herbst, "Rotational
spectrum of trans-trans diethyl ether in the ground and three excited vibrational
states", J.Mol.Spectrosc. 233,
231-243 (2005).
- I.Medvedev, M.Winnewisser, F.C.De
Lucia, E.Herbst, E.Bialkowska-Jaworska, L.Pszczolkowski, Z.Kisiel, "The
millimeter- and submillimeter-wave spectrum of the trans-gauche
conformer of diethyl ether", J.Mol.Spectrosc. 228,
314-328 (2004).
- I.Medvedev, M.Winnewisser, F.C.De
Lucia, E.Herbst, E.Yi, L.P.Leong, R.P.A.Bettens, E.Bialkowska-Jaworska,
O.Desyatnyk, L.Pszczolkowski, Z.Kisiel, "The millimeter- and
submillimeter-wave spectrum of the trans-trans conformer of
diethyl ether C2H5OC2H5", Astrophys.J.Suppl.Series 148, 593-597
(2003).
Chlorine
nitrate, ClONO2 (important stratospheric molecule):
- Z.Kisiel, E.Bialkowska-Jaworska,
R.A.H.Butler,
D.T.Petkie, P.Helminger, I.R.Medvedev, F.C.De Lucia, "The rotational
spectrum of chlorine nitrate (ClONO2) in four lowest
nv9 polyads", J.Mol.Spectrosc. 254,
78-86
(2009).
- R.A.H.Butler, D.T.Petkie, P.Helminger,
F.C.De Lucia, E.Bialkowska-Jaworska, Z.Kisiel, "The rotational spectrum
of chlorine nitrate (ClONO2): The v6
vibrational state", J.Mol.Spectrosc.
244, 113-116 (2007).
- R.A.H.Butler, D.T.Petkie, P.Helminger,
F.C.De Lucia, Z.Kisiel, "The rotational spectrum of chlorine nitrate
(ClONO2): The v5/v6v9 dyad", J.Mol.Spectrosc. 243,
1-9
(2007).
Acrylonitrile
= Vinyl cyanide, H2C=CHCN (classified as a significant astrophysical weed molecule and thus requiring
detailed understanding of its rotational spectrum well into the THz
region):
- Z.Kisiel, L.Pszczolkowski, B.J.Drouin,
C.S.Brauer, S.Yu, J.C.Pearson, "The rotational spectrum of
acrylonitrile up to 1.67 THz", J.Mol.Spectrosc.
258,
26-34 (2009).
- G.Cazzoli, Z.Kisiel, "The rotational spectrum of
acrylonitrile in excited states of the low frequency CCN bending
vibrational modes", J.Mol.Spectrosc.
130,
303-315 (1988).
n-propanol, H3CCH2CH2OH (successful assignment of all five conformers by
combining information from spectra recorded in four different
laboratories using different
techniques of rotational spectroscopy):
- Z.Kisiel, O.Dorosh, A.Maeda,
I.R.Medvedev, F.C.De Lucia, E.Herbst, B.J.Drouin, J.C.Pearson,
S.T.Shipman, "Determination of precise relative energies of conformers
of n-propanol by rotational
spectroscopy", Phys.Chem.Chem.Phys. 12,
8329-8339
(2010).
Pyrimidine
(nucleic
acid
backbone molecule):
- Z.Kisiel, L.Pszczolkowski, J.C.Lopez,
J.L.Alonso, A.Maris, and W.Caminati, "Investigation of the rotational
spectrum of pyrimidine from 3 to 337 GHz: Molecular structure, nuclear
quadrupole coupling, and vibrational satellites", J.Mol.Spectrosc.
195,332-339(1999).
- Y-J.Kuan, C-H.Yan, S.B.Charnley,
Z.Kisiel, P.Ehrenfreund, H-C.Huang, "A search for interstellar
pyrimidine", Mon.Not.R.Astron.Soc. 345,650-656(2003).
- Z.Peeters, O.Botta, S.B.Charnley,
Z.Kisiel, Y.-J.Kuan, P.Ehrenfreund, "Formation and photostability of
N-heterocycles in space - I. The effect of nitrogen on the
photostability of small aromatic molecules", Astron. & Astrophys. 433, 583-590 (2005).
Various
singly
substituted
benzene derivatives:
- Toluene: V.V.Ilyushin, Z.Kisiel,
L.Pszczolkowski, H.Mader, J.T.Hougen, "A new torsion-rotation fitting
program for molecules with a sixfold barrier: Application to the
microwave spectrum of toluene", J.Mol.Spectrosc.
259, 26-38 (2010).
- Z.Kisiel, E.Bialkowska-Jaworska,
L.Pszczolkowski, H.Mader,
"Ground state rotational spectrum of toluene", J.Mol.Spectrosc.
227, 109-113 (2004).
- Fluorobenzene: Z.Kisiel, E.Bialkowska-Jaworska,
L.Pszczolkowski, "The millimeter-wave rotational
spectrum of fluorobenzene", J.Mol.Spectrosc.
232, 47-54 (2005).
- Chlorobenzene,
Bromobenzene, Iodobenzene: O.Dorosh, E.Bialkowska-Jaworska, Z.Kisiel, L.Pszczolkowski, "New measurements and global analysis of rotational spectra
of Cl-, Br- , and I-benzene: Spectroscopic constants and electric
dipole moments", J.Mol.Spectrosc. 246,
228-232
(2007).
- Anisole and
Benzaldehyde: O.Desyatnyk,
L.Pszczolkowski, S.Thorwirth,
T.M.Krygowski, Z.Kisiel,
"The rotational spectra, electric dipole moments and molecular
structures of anisole and benzaldehyde", Phys.Chem.Chem.Phys. 7, 1708-1715 (2005); publisher's
correction Phys.Chem.Chem.Phys.
7, 2080 (2005).
- Phenylacetylene:
Z.Kisiel, A.Krasnicki, "The millimetre-wave rotational spectrum of
phenylacetylene", J.Mol.Spectrosc. 262,
82-88
(2010).
Sulfur
dicyanide, S(CN)2 (a tutorial in the
study of complex broadband rotational spectra and analysis of multiple
Coriolis+Fermi interstate interactions):
- Z.Kisiel,
O.Dorosh, M.Winnewisser, M.Behnke, I.R.Medvedev, F.C.De
Lucia, "Comprehensive analysis of the FASSST rotational spectrum of
S(CN)2", J.Mol.Spectrosc. 246,
39-56
(2007).
Some other molecules recently
studied with either the MMW or FTMW (or
both) spectrometers in Warsaw :
- H2C=CClCN: Z.Kisiel and L.Pszczolkowski, "Nuclear quadrupole coupling
in 2-chloroacrylonitrile: inertial and principal quadrupole tensor
components for Cl and N", J.Mol.Spectrosc. 184, 215-220
(1997).
- CH2Cl2: Z.Kisiel, J.Kosarzewski, and L.Pszczolkowski, "Nuclear
quadrupole coupling tensor of CH2Cl2: Comparison
of quadrupolar and structural angles in methylene halides", Acta
Physica Polonica A. 92, 507-516 (1997).
- Chloroform,
HCCl3:
E.Bialkowska-Jaworska, Z.Kisiel and
L.Pszczolkowski, "Nuclear quadrupole coupling in
chloroform and calibration of ab
initio calculations", J.Mol.Spectrosc. 238,
72-78 (2006).
- CHF2I: C.T.Dewberry, Z.Kisiel,
S.A.Cooke, "The pure
rotational spectrum of Difluoroiodomethane, CHF2I", J.Mol.Spectrosc.
261,
82-86 (2010).
- CCl2=CH2:
Z.Kisiel, E.Bialkowska-Jaworska,
L.Pszczolkowski, "Nuclear quadrupole coupling in Cl2C=CHCl
and Cl2C=CH2; Evidence for systematic differences
in orientation between internuclear and field gradient axes for
terminal quadrupolar nuclei", J.Chem.Phys. 109,
10263-10272 (1998).
Z.Kisiel and L.Pszczolkowski, "The
high-frequency rotational spectrum of 1,1-dichloroethylene", Z.Naturforsch.
50A, 347-351 (1995).
- tBuX,
X=F,
Cl,
Br, I, CN, NC: Z.Kisiel,
E.Bialkowska-Jaworska, O.Desyatnyk, B.A.Pietrewicz, L.Pszczolkowski,
"The gas-phase electric dipole moments of the symmetric top tertiary
butyl molecules tBuX, X=F,Cl,Br,I,CN, and NC", J.Mol.Spectrosc.
208, 113-120 (2001).
- 1-F-adamantane: A.C.Legon, J.Tizard, and Z.Kisiel, "Bridgehead distortion at
the C1 position of 1-fluoroadamantane revealed by rotational
spectroscopy and ab initio calculations", J.Mol.Struct. 612,
83-91
(2002).
- Quinoline/Isoquinoline: Z.Kisiel, O.Desyatnyk, L.Pszczolkowski, C.B.Charnley,
P.Ehrenfreund, "Rotational spectra of quinoline and of isoquinoline:
spectroscopic constants and electric dipole moments", J.Mol.Spectrosc.
217, 115-122 (2003).
- Camphor: Z.Kisiel, O.Desyatnyk, E.Bialkowska-Jaworska,
L.Pszczolkowski, "The structure and electric dipole moment of camphor
determined by rotational spectroscopy", Phys.Chem.Chem.Phys. 5,
1359-1364
(2003).
- Urethane
(ethyl
carbamate): M.Goubet, R.A.Motiyenko,
F.Real, L.Margules, T.R.Huet, P.Asselin, P.Soulard, A.Krasnicki,
Z.Kisiel, E.A.Alekseev, "Influence of the geometry of a hydrogen bond
on conformational stability: a theoretical and experimental study of
ethyl carbamate", Phys.Chem.Chem.Phys. 11,
1719-1728 (2009).
- 1,3-benzodioxole: Z.Kisiel, L.Pszczolkowski,
G.Pietraperzia, M.Becucci, W.Caminati, R.Meyer, "The
anomeric
effect
in 1,3-benzodioxole: additional evidence from the
rotational, vibration-rotation and rovibronic spectra", Phys.Chem.Chem.Phys.
6, 5469-5475 (2004).
- Cyclopropyl cyanide: L.Bizzocchi,
C.D.Esposti, L.Dore, Z.Kisiel, "Submillimetre-wave spectrum,
14N-hyperfine structure, and dipole moment of cyclopropyl cyanide", J.Mol.Spectrosc. 251, 138-144 (2008).
- Acetic
acid/Acetone: O.Dorosh, Z.Kisiel, "Electric
dipole moments of acetone and of acetic acid measured in supersonic
expansion", Acta Physica Polonica A. 112,
S95-
S104
(2007).
- Lactic
acid: L.Pszczolkowski, E.Bialkowska-Jaworska, Z.Kisiel, "The millimeter-wave rotational spectrum of lactic acid", J.Mol.Spectrosc. 234, 106-112 (2005).
- Pyruvic
acid: Z.Kisiel,
L.Pszczolkowski, E.Bialkowska-Jaworska,
S.B.Charnley, "The millimeter-wave rotational spectrum of pyruvic acid", J.Mol.Spectrosc. 241,
220-229 (2007).
- Pyruvonitrile
(acetyl
cyanide): A.Krasnicki, L.Pszczolkowski, Z.Kisiel,
"Analysis of the rotational spectrum of pyruvonitrile up to 324 GHz", J.Mol.Spectrosc. 260, 57-65 (2010).
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