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1

Syntheses, 77Se, 203Tl, and 205Tl NMR and Theoretical Studies of the Tl2Se6-6, Tl3Se5-6, and Tl3Se5-7 Anions and the X-Ray Crystal Structures of [2,2,2-crypt-Na]4[Tl4Se8]×en and [2,2,2-crypt-Na]2 [Tl2Se4]1∞×en.

Ayaaz M. Pirani, Helene P. A. Mercier, Reijo J. Suontamo, Gary J. Schrobilgen, David P. Santry, Horst Borrmann

Journal:

Year:

2006

File:

PDF, 17 KB

2006

2

Ultrasound-assisted extraction in the determination of arsenic, cadmium, copper, lead, and silver in contaminated soil samples by inductively coupled plasma atomic emission spectrometry

Ari Väisänen, Reijo Suontamo, Janne Silvonen, Jukka Rintala

Journal:

Analytical and Bioanalytical Chemistry

Year:

2002

Language:

english

File:

PDF, 81 KB

english, 2002

3

The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF 5 ][Sb(OTeF 5 ) 6 ]: The Syntheses and Characterization of the CX 3+ (X = Cl, Br, OTeF 5 ) and CBr(OTeF 5 ) 2+ Cations and Theoretical Studies of CX 3+ and BX 3 (X = F, Cl, Br, I, OTeF 5 ) †

Mercier, Hélène P. A., Moran, Matthew D., Schrobilgen, Gary J., Steinberg, Christoph, Suontamo, Reijo J.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 379 KB

english, 2004

4

Basis set and correlation effects in the calculation of accurate gas phase dimerization energies of two M+2 to give M2+4 (M = S, Se)

Jenkins, H. Donald B., Jitariu, Luminita C., Krossing, Ingo, Passmore, Jack, Suontamo, Reijo

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 418 KB

english, 2000

5

Complete Spectral Analysis of the 1H NMR 16-Spin System of β-Pinene

Erkki Kolehmainen, Katri Laihia, Reino Laatikainen, Jouko Vepsäläinen, Matthias Niemitz, Reijo Suontamo

Journal:

Magnetic Resonance in Chemistry

Year:

1997

Language:

english

File:

PDF, 323 KB

english, 1997

6

Schiff-Base Podates – X-ray, NMR and Ab Initio Molecular-Orbital Studies of the Cadmium(II) Complexes of Linear and Three-Armed Podands in Solution and Solid State

Anu Jäntti, Michael Wagner, Michael Wagner, Reĳo Suontamo, Erkki Kolehmainen, Kari Rissanen

Journal:

European Journal of Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 258 KB

english, 1998

7

Ab initio study of halogenated diphenyl ethers. NMR chemical shift prediction

Jussi Eloranta, Jiwei Hu, Reijo Suontamo, Erkki Kolehmainen, Juha Knuutinen

Journal:

Magnetic Resonance in Chemistry

Year:

2000

Language:

english

File:

PDF, 76 KB

english, 2000

8

ChemInform Abstract: Theoretical and Experimental Studies of Six-Membered Selenium-Sulfur Nitrides SexS4-xN2 (x = 0-4). Preparation of S4N2 and SeS3N2 by the Reaction of Bis(bis(trimethylsilyl)amino)sulfane with Chalcogen Chlorides.

A. MAANINEN, J. SIIVARI, R. J. SUONTAMO, J. KONU, R. S. LAITINEN, T. CHIVERS

Journal:

Year:

1997

File:

PDF, 30 KB

1997

9

ChemInform Abstract: First Examples of Thallium Chalcogenide Cages. Syntheses, 77Se, 203Tl, and 205Tl NMR Study of the Tl4Se54- and Tl4Se64- Anions, the X-Ray Crystal Structure of (2,2,2-crypt-K+) 3Tl5Se53-, and Theoretical Studies.

Janette Campbell, Helene P. A. Mercier, David P. Santry, Reijo J. Suontamo, Horst Borrmann, Gary J. Schrobilgen

Journal:

Year:

2001

Language:

english

File:

PDF, 36 KB

english, 2001

10

Electronic Structures and Spectroscopic Properties of 6π-Electron Ring Molecules and Ions E2N2 and E2+4 (E: S, Se, Te)

Heikki M. Tuononen, Reijo Suontamo, Jussi Valkonen, Risto S. Laitinen

Journal:

Year:

2004

File:

PDF, 53 KB

2004

11

X-Ray Crystal Structures of [XF6][Sb2F11] (X: Cl, Br, I); 35,37Cl, 79,81Br, and 127I NMR Studies and Electronic Structure Calculations of the XF6+ Cations.

John F. Lehmann, Gary J. Schrobilgen, Karl O. Christe, Andreas Kornath, Reijo J. Suontamo

Journal:

Year:

2005

Language:

english

File:

PDF, 17 KB

english, 2005

12

Synthesis, Structural Characterization, and Computanional Study of the Strong Oxidant Salt [XeOTeF5] [Sb(OTeF5)6]×SO2ClF.

Helene P. A. Mercier, Matthew D. Moran, Jeremy C. P. Sanders, Gary J. Schrobilgen, R. J. Suontamo

Journal:

Year:

2005

Language:

english

File:

PDF, 13 KB

english, 2005

13

A Computational and Experimental Study of the Structure and Raman and 77Se NMR Spectra of SeX3+ and SeX2 (X: Cl, Br, I): FT-Raman Spectrum of (SeI3)[AsF6].

J. Mikko Rautiainen, Todd Way, Gabriele Schatte, Jack Passmore, Risto S. Laitinen, Reijo J. Suontamo, Jussi Valkonen

Journal:

Year:

2005

File:

PDF, 9 KB

2005

14

Electronic Structures and Molecular Properties of Chalcogen Nitrides Se2N2 and SeSN2

Heikki M. Tuononen, Reijo Suontamo, Jussi Valkonen, Risto S. Laitinen, Tristram Chivers

Journal:

Year:

2005

File:

PDF, 8 KB

2005

15

Bonding Trends in Lewis Acid Adducts of S4N4 – X-ray Structure of TeCl4·S4N4

Jari Konu, Tom Bajorek, Risto S. Laitinen, Tristram Chivers, Reijo J. Suontamo, Markku Ahlgrén

Journal:

European Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 231 KB

english, 2006

16

1H, 13C NMR spectral and single crystal structural studies of toxaphene congeners. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts

K. Laihia, A. Valkonen, E. Kolehmainen, R. Suontamo, M. Nissinen, V. Nikiforov, S. Selivanov

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 183 KB

english, 2005

17

Energetics of hydride and electron pair attachment to EX30/+ (E = B, C, Al, Si and X = F, Cl, Br, I) and the study of bonding trends among EX30/+, EX32−/−, and EX3H−/0 by use of ELF and NBO analyses

Hélène P.A. Mercier, Matthew D. Moran, Gary J. Schrobilgen, Reijo J. Suontamo

Journal:

Journal of Fluorine Chemistry

Year:

2004

Language:

english

File:

PDF, 726 KB

english, 2004

18

Interactions between cationic amylose derivatives and a pulp fiber model surface studied by molecular modelling

L. Kela, J. Knuutinen, J. Linnanto, R. Suontamo, S. Peltonen, K. Kataja

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 1.42 MB

english, 2007

19

An MO study of neutral C8 high-symmetry clusters

Tommi H Nyrönen, Reijo Suontamo

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 130 KB

english, 1997

20

Comparison of epimeric methyl lithocholate and methyl iso-lithocholate molecules: single crystal X-ray structure of methyl lithocholate, ab initio HF/6-31G* optimized structures and experimental and calculated DFT/B3LYP 13C NMR chemical shifts

E Virtanen, M Nissinen, R Suontamo, J Tamminen, E Kolehmainen

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 206 KB

english, 2003

21

Corrigendum to “Comparison of epimeric methyl lithocholate and methyl iso-lithocholate molecules: Single crystal X-ray structure of methyl lithocholate, ab initio HF/6-31G* optimized structures and experimental and calculated DFT/B3LYP 13C NMR chemical shifts” [J. Molstruc. 649 (2003) 207–218]

E. Virtanen, M. Nissinen, R. Suontamo, J. Tammine, E. Kolehmainen

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 52 KB

english, 2003

22

An experimental and theoretical study of the isomerization of mononuclear bis(arylselenolato)bis(triphenylphosphine)platinum complexes [Pt(SeR)2(PPh3)2]

Milja S Hannu-Kuure, Jarno Komulainen, Raija Oilunkaniemi, Risto S Laitinen, Reijo Suontamo, Markku Ahlgrén

Journal:

Journal of Organometallic Chemistry

Year:

2003

Language:

english

File:

PDF, 273 KB

english, 2003

23

Macrocycles prepared from lithocholic acid, piperazine and isomeric pyridine dicarboxylic acids and their selective affinities towards sodium and potassium

Mervi Haapala, Erkki Kolehmainen, Jari Tamminen, Reijo Kauppinen, Juha Linnanto, Elina Virtanen, Reijo Suontamo, Pirjo Vainiotalo

Journal:

Materials Science and Engineering: C

Year:

2001

Language:

english

File:

PDF, 58 KB

english, 2001

24

Timolol derivatives. I. X-ray, NMR and theoretical studies of the crystallization of (S)-timolol O,O-diacetyl-l-tartaric acid monoester

Jussi Kivikoski, Jouko Vepsäläinen, Reijo Suontamo, Esko Pohjala, Reino Laatikainen

Journal:

Tetrahedron: Asymmetry

Year:

1993

Language:

english

File:

PDF, 858 KB

english, 1993

25

The tautomerism of nitraminopyridines

Ryszard Gawinecki, Erkki Kolehmainen, Danuta Rasała, Reijo Suontamo

Journal:

Journal of Physical Organic Chemistry

Year:

1995

Language:

english

File:

PDF, 436 KB

english, 1995

26

Why betaine crystallizes in high local Cs symmetry. An ab initio MO and DFT study of anhydrous betaine and betaine monohydrate

Tommi H. Nyrönen, Reijo Suontamo, Ilkka Pitkänen

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 234 KB

english, 1999

27

Synthesis, vibrational and NMR spectroscopic characterization of [N(CH3)4][IO2F2] and X-ray crystal structure of [N(CH3)4]2[IO2F2][HF2]

Michael Gerken, Johnathan P. Mack, Gary J. Schrobilgen, Reijo J. Suontamo

Journal:

Journal of Fluorine Chemistry

Year:

2004

Language:

english

File:

PDF, 214 KB

english, 2004

28

ChemInform Abstract: The Tautomerism of Nitraminopyridines

R. GAWINECKI, E. KOLEHMAINEN, D. RASALA, R. SUONTAMO

Journal:

Year:

1996

File:

PDF, 23 KB

1996

29

Homo- and heteroatomic chalcogen rings

Risto S. Laitinen, Pentti Pekonen, Reijo J. Suontamo

Journal:

Coordination Chemistry Reviews

Year:

1994

Language:

english

File:

PDF, 4.37 MB

english, 1994

30

Ab initio molecular orbital study of SenS4−nN4 (n = 0−4)

Reijo J. Suontamo, Risto S. Laitinen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 470 KB

english, 1995

31

Molecular valence calculations on small sulfur clusters S2 to S5

Reijo J. Suontamo, Risto S. Laitinen, Tapani A. Pakkanen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 506 KB

english, 1994

32

Molecular orbital study of conformational isomers and rotational barriers of methyl substituted hydroquinone cation radicals

Jussi Eloranta, Virpi Vatanen, Kari Vaskonen, Reijo Suontamo, Mikko Vuolle

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 614 KB

english, 1998

33

A Simple "Plastic Bag" Technique for Visible Spectra of Solid Metal Complexes

Suontamo, Reijo J.

Journal:

Applied Spectroscopy

Year:

1979

Language:

english

File:

PDF, 204 KB

english, 1979

34

Molecular orbital studies on brominated diphenyl ethers. Part II—reactivity and quantitative structure–activity (property) relationships

Jiwei Hu, Lars Eriksson, Åke Bergman, Eva Jakobsson, Erkki Kolehmainen, Juha Knuutinen, Reijo Suontamo, Xionghui Wei

Journal:

Year:

2005

Language:

english

File:

PDF, 309 KB

english, 2005

35

Molecular orbital studies on brominated diphenyl ethers. Part I—conformational properties

Jiwei Hu, Lars Eriksson, Åke Bergman, Erkki Kolehmainen, Juha Knuutinen, Reijo Suontamo, Xionghui Wei

Journal:

Year:

2005

Language:

english

File:

PDF, 202 KB

english, 2005

36

Electronic Structures and Molecular Properties of Chalcogen Nitrides Se 2 N 2 and SeSN 2

Tuononen, Heikki M., Suontamo, Reijo, Valkonen, Jussi, Laitinen, Risto S., Chivers, Tristram

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 115 KB

english, 2005

37

A Computational and Experimental Study of the Structures and Raman and 77 Se NMR Spectra of SeX 3+ and SeX 2 (X = Cl, Br, I): FT-Raman Spectrum of (SeI 3 )[AsF 6 ]

Rautiainen, J. Mikko, Way, Todd, Schatte, Gabriele, Passmore, Jack, Laitinen, Risto S., Suontamo, Reijo J., Valkonen, Jussi

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 139 KB

english, 2005

38

1-Phenyl-3-methyl-5-N-benzylideneaminopyrazoles. Substituent effects and protonation sites studied by NMR and ab initio(6-31G*) MO calculations

Kolehmainen, Erkki, Pucha?a, Agnieszka, Suontamo, Reijo, Rasa?a, Danuta, ?ysek, Robert

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1996

Language:

english

File:

PDF, 729 KB

english, 1996

39

Syntheses and X-ray Crystal Structures of α- and β-[XeO 2 F][SbF 6 ], [XeO 2 F][AsF 6 ], [FO 2 XeFXeO 2 F][AsF 6 ], and [XeF 5 ][SbF 6 ]·XeOF 4 and Computational Studies of the XeO 2 F + and FO 2 XeFXeO 2

Pointner, Bernard E., Suontamo, Reijo J., Schrobilgen, Gary J.

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 509 KB

english, 2006

40

Accounting for the Differences in the Structures and Relative Energies of the Highly Homoatomic n p π − n p π ( n ≥ 3)-Bonded S 2 I 42+ , the Se−I π-Bonded Se 2 I 42+ , and Their Higher-Energy Isomers by AIM, MO, NBO, and VB Methodologies ‖

Brownridge, Scott, Crawford, Margaret-Jane, Du, Hongbin, Harcourt, Richard D., Knapp, Carsten, Laitinen, Risto S., Passmore, Jack, Rautiainen, J. Mikko, Suontamo, Reijo J., Valkonen, Jussi

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 952 KB

english, 2007

41

Experimental and Theoretical Investigations of Structural Trends for Selenium(IV) Imides and Oxides: X-ray Structure of Se 3 (NAd) 2

Maaninen, Tiina, Tuononen, Heikki M., Schatte, Gabriele, Suontamo, Reijo, Valkonen, Jussi, Laitinen, Risto, Chivers, Tristram

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 128 KB

english, 2004

42

NMR Spectroscopic Evidence for the Intermediacy of XeF 3− in XeF 2 /F − Exchange, Attempted Syntheses and Thermochemistry of XeF 3− Salts, and Theoretical Studies of the XeF 3− Anion

Vasdev, Neil, Moran, Matthew D., Tuononen, Heikki M., Chirakal, Raman, Suontamo, Reijo J., Bain, Alex D., Schrobilgen, Gary J.

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.27 MB

english, 2010

43

X-ray Crystal Structures of [XF 6 ][Sb 2 F 11 ] (X = Cl, Br, I); 35,37 Cl, 79,81 Br, and 127 I NMR Studies and Electronic Structure Calculations of the XF 6+ Cations

Lehmann, John F., Schrobilgen, Gary J., Christe, Karl O., Kornath, Andreas, Suontamo, Reijo J.

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 277 KB

english, 2004

44

First Examples of Thallium Chalcogenide Cages. Syntheses, 77 Se, 203 Tl, and 205 Tl NMR Study of the Tl 4 Se 54- and Tl 4 Se 64- Anions, the X-ray Crystal Structure of (2,2,2-crypt-K + ) 3 Tl 5 Se 53- , and Theoretical Studies †

Campbell, Janette, Mercier, Hélène P. A., Santry, David P., Suontamo, Reijo J., Borrmann, Horst, Schrobilgen, Gary J.

Journal:

Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 403 KB

english, 2001

45

Ab Initio MO Study of Silver Ion Complexation in [2.2.2]Cyclophane π-Prismands

Saarenketo, Pauli, Suontamo, Reijo, Jödicke, Tim, Rissanen, Kari

Journal:

Organometallics

Year:

2000

Language:

english

File:

PDF, 198 KB

english, 2000

46

Electronic Structures and Spectroscopic Properties of 6π-Electron Ring Molecules and Ions E 2 N 2 and E 42+ (E = S, Se, Te)

Tuononen, Heikki M., Suontamo, Reijo, Valkonen, Jussi, Laitinen, Risto S.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 185 KB

english, 2004

47

Conformations and Energetics of Sulfur and Selenium Diimides

Tuononen, Heikki M., Suontamo, Reijo J., Valkonen, Jussi U., Laitinen, Risto S., Chivers, Tristram

Journal:

Inorganic Chemistry

Year:

2003

Language:

english

File:

PDF, 144 KB

english, 2003

48

Syntheses; 77 Se, 203 Tl, and 205 Tl NMR; and Theoretical Studies of the Tl 2 Se 66- , Tl 3 Se 65- , and Tl 3 Se 75- Anions and the X-ray Crystal Structures of [2,2,2-crypt-Na] 4 [Tl 4 Se 8 ]·en and [2,2,2-crypt-Na] 2

Pirani, Ayaaz M., Mercier, Hélène P. A., Suontamo, Reijo J., Schrobilgen, Gary J., Santry, David P., Borrmann, Horst

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 439 KB

english, 2005

49

Experimental and Theoretical Investigations of Tellurium(IV) Diimides and Imidotelluroxanes: X-ray Structures of B(C 6 F 5 ) 3 Adducts of OTe( μ -N t Bu) 2 TeN t Bu, [OTe( μ -N t Bu) 2 Te( μ

Schatte, Gabriele, Chivers, Tristram, Tuononen, Heikki M., Suontamo, Reijo, Laitinen, Risto, Valkonen, Jussi

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 299 KB

english, 2005

50

Theoretical and Experimental Studies of Six-Membered Selenium−Sulfur Nitrides Se x S 4- x N 2 ( x = 0−4). Preparation of S 4 N 2 and SeS 3 N 2 by the Reaction of Bis[bis(trimethylsilyl)amino]sulfane with Chalcogen Chlorides

Maaninen, Arto, Siivari, Jari, Suontamo, Reijo J., Konu, Jari, Laitinen, Risto S., Chivers, Tristram

Journal:

Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 313 KB

english, 1997