List of works - Mikko Rautiainen

77Se NMR spectroscopic, DFT MO, and VBT investigations of the reversible dissociation of solid (Se6I2)[AsF6]2.2SO2 in Liquid SO2 to solutions containing 1,4-Se6I2(2+) in equilibrium with Se(n)2+ (n = 4, 8, 10) and seven binary selenium iodine cation

scientific article published on 01 March 2009

A Ten-membered Dimetallacycle with an [Ag···Ag]2+ Dication Bridged by Two P, N Ligands

scientific article

A computational and experimental study of the structures and Raman and 77Se NMR spectra of SeX3+ and SeX2 (X = Cl, Br, I): FT-Raman spectrum of (SeI3)[AsF6]

scientific article published on 01 March 2005

A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical

article

A self-assembled Cu(ii)4[2 × 2] grid with organic radicals

scientific article published on 17 October 2012

Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5).

scientific article published on 8 June 2016

Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies

scientific article published on 01 February 2007

Addition/Correction to “High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches”

scientific article published in 2022

Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species

scientific article published on 01 January 2019

Boron-nitrogen substituted dihydroindeno[1,2-b]fluorene derivatives as acceptors in organic solar cells

scientific article published on 28 August 2019

Characterization of the diradical NSNSC-CNSSN and [NSNSC-CNSSN][MF6]n (n=1, 2). The first observation of an excited triplet state in dimers of 7pi -CNSSN* radicals

scientific article published on 01 August 2007

Computational thermochemistry: extension of Benson group additivity approach to organoboron compounds and reliable predictions of their thermochemical properties

scientific article published in 2022

Divergent reactivity of nucleophilic 1-bora-7a-azaindenide anions

scientific article published on 14 December 2017

Evidence for [18-Crown-6 Na]2[S2O4] in methanol and dissociation to Na2S2O4 and 18-Crown-6 in the solid state; accounting for the scarcity of simple oxy dianion salts of alkali metal crown ethers in the solid state

scientific article published on 10 January 2011

Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.

scientific article published in May 2015

Experimental and computational investigations of platinum complexes of selenium diimide and some novel selenium–nitrogen ligands

scientific article

Halogen Bonding between Thiocarbonyl Compounds and 1,2- and 1,4-Diiodotetrafluorobenzenes

scientific article

High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches

scientific article published in 2022

Host–Guest Interactions of Sodiumsulfonatomethyleneresorcinarene and Quaternary Ammonium Halides: An Experimental–Computational Analysis of the Guest Inclusion Properties

scientific article

Insights into the decomposition pathway of a lutetium alkylamido complex via intramolecular C–H bond activation

scientific article

Low‐Valent Germanylidene Anions: Efficient Single‐Site Nucleophiles for Activation of Small Molecules

scientific article

Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide

scientific article published on 17 September 2015

Preparation, structure and analysis of the bonding in the molecular entity (OSO)2Li{[AlF(ORF)3]Li[Al(ORF)4]} (RF = C(CF3)3).

scientific article

Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2

scientific article published on 27 February 2013

Strong N-X⋅⋅⋅O-N Halogen Bonds: A Comprehensive Study on N-Halosaccharin Pyridine N-Oxide Complexes

scientific article published on 07 November 2019

Synthesis of (TDAE)(O2SSO2)(s) and discovery of (TDAE)(O2SSSSO2)(s) containing the first polythionite, [O2SSSSO2]2-.

scientific article

Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2]·SO2(s) containing (SO4)(SO2)x(2-) x = 1, 2, members of a new class of sulfur oxydianions

scientific article published on 04 June 2013

Synthesis, Characterization, and Properties of Weakly Coordinating Anions Based on tris-Perfluoro-tert-Butoxyborane.

scientific article

Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.

scientific article published in November 2016

The C–I···–O–N+ Halogen Bonds with Tetraiodoethylene and Aromatic N-Oxides

scientific article

The autoionization of [TiF4] by cation complexation with [15]crown-5 to give [TiF2([15]crown-5)][Ti4F18] containing the tetrahedral [Ti4F18]2- ion.

scientific article published in December 2005

The highest bond order between heavier main-group elements in an isolated compound? Energetics and vibrational spectroscopy of S2I4(MF6)2 (M = As, Sb)

scientific article published on 01 March 2005

The role of imidoselenium(II) chlorides in the formation of cyclic selenium imides via cyclocondensation.

scientific article

Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties

scientific article published on 16 January 2019

Tridentate C–I⋯O−–N+ halogen bonds

scientific article

Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes

scientific article

List of works by Mikko Rautiainen

77Se NMR spectroscopic, DFT MO, and VBT investigations of the reversible dissociation of solid (Se6I2)[AsF6]2.2SO2 in Liquid SO2 to solutions containing 1,4-Se6I2(2+) in equilibrium with Se(n)2+ (n = 4, 8, 10) and seven binary selenium iodine cation

A Ten-membered Dimetallacycle with an [Ag···Ag]2+ Dication Bridged by Two P, N Ligands

A computational and experimental study of the structures and Raman and 77Se NMR spectra of SeX3+ and SeX2 (X = Cl, Br, I): FT-Raman spectrum of (SeI3)[AsF6]

A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical

A self-assembled Cu(ii)4[2 × 2] grid with organic radicals

Absorption of SO2(g) by TDAE[O2SSO2](s) to Give TDAE[O2SS(O)2SO2](s): Related Reactions of [NR4]2[O2SSO2](s) (R = CH3, C2H5).

Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies

Addition/Correction to “High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches”

Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species

Boron-nitrogen substituted dihydroindeno[1,2-b]fluorene derivatives as acceptors in organic solar cells

Characterization of the diradical *NSNSC-CNSSN* and [NSNSC-CNSSN][MF6]n (n=1, 2). The first observation of an excited triplet state in dimers of 7pi -CNSSN* radicals

Computational thermochemistry: extension of Benson group additivity approach to organoboron compounds and reliable predictions of their thermochemical properties

Computational thermochemistry: extension of Benson group additivity approach to organoboron compounds and reliable predictions of their thermochemical properties

Divergent reactivity of nucleophilic 1-bora-7a-azaindenide anions

Evidence for [18-Crown-6 Na]2[S2O4] in methanol and dissociation to Na2S2O4 and 18-Crown-6 in the solid state; accounting for the scarcity of simple oxy dianion salts of alkali metal crown ethers in the solid state

Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.

Experimental and computational investigations of platinum complexes of selenium diimide and some novel selenium–nitrogen ligands

Halogen Bonding between Thiocarbonyl Compounds and 1,2- and 1,4-Diiodotetrafluorobenzenes

High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species: Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches

Host–Guest Interactions of Sodiumsulfonatomethyleneresorcinarene and Quaternary Ammonium Halides: An Experimental–Computational Analysis of the Guest Inclusion Properties

Insights into the decomposition pathway of a lutetium alkylamido complex via intramolecular C–H bond activation

Low‐Valent Germanylidene Anions: Efficient Single‐Site Nucleophiles for Activation of Small Molecules

Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide

Preparation, structure and analysis of the bonding in the molecular entity (OSO)2Li{[AlF(ORF)3]Li[Al(ORF)4]} (RF = C(CF3)3).

Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2

Strong N-X⋅⋅⋅O-N Halogen Bonds: A Comprehensive Study on N-Halosaccharin Pyridine N-Oxide Complexes

Synthesis of (TDAE)(O2SSO2)(s) and discovery of (TDAE)(O2SSSSO2)(s) containing the first polythionite, [O2SSSSO2]2-.

Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2]·SO2(s) containing (SO4)(SO2)x(2-) x = 1, 2, members of a new class of sulfur oxydianions

Synthesis, Characterization, and Properties of Weakly Coordinating Anions Based on tris-Perfluoro-tert-Butoxyborane.

Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.

The C–I···–O–N+ Halogen Bonds with Tetraiodoethylene and Aromatic N-Oxides

The autoionization of [TiF4] by cation complexation with [15]crown-5 to give [TiF2([15]crown-5)][Ti4F18] containing the tetrahedral [Ti4F18]2- ion.

The highest bond order between heavier main-group elements in an isolated compound? Energetics and vibrational spectroscopy of S2I4(MF6)2 (M = As, Sb)

The role of imidoselenium(II) chlorides in the formation of cyclic selenium imides via cyclocondensation.

Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties

Tridentate C–I⋯O−–N+ halogen bonds

Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes

Characterization of the diradical NSNSC-CNSSN and [NSNSC-CNSSN][MF6]n (n=1, 2). The first observation of an excited triplet state in dimers of 7pi -CNSSN* radicals