Abstract: Disclosed are HCFO-containing isocyanate-reactive compositions that include a tertiary amine oxide catalyst. Also described are foam-forming compositions containing such isocyanate-reactive compositions, rigid foams made using such foam-forming compositions, and methods for producing such foams, including use of such foams as insulation in discontinuous foam panel applications. The isocyanate-reactive composition can exhibit a long shelf life, be shelf-stable, and produce foam with good physical properties.

Abstract: A process for the carbonylation of epoxides in the presence of catalyst systems, wherein the carbonylation takes place in the presence of carbon monoxide, and wherein the catalyst system contains a molybdenum-based compound. Carbonylation products as well as carbonylation derivatives and to the use of the claimed catalyst systems for the carbonylation of epoxides are also provided.

Abstract: The invention relates to a process for the carbonylation of epoxides in the presence of catalyst systems, in which the carbonylation is carried out in the presence of carbon monoxide, and wherein the catalyst system comprises a vanadium-based, chromium-based, manganese-based and/or tungsten-based compound, preferably a tungsten-based compound. The invention further relates to carbonylation products and carbonylation conversion products and to the use of catalyst systems according to the invention for carbonylation of epoxides.

Abstract: The present invention relates to a computer-implemented method for calculating transition states of a chemical reaction, and to a system for data processing comprising means for carrying out the method, to a computer program comprising instructions which cause a computer to execute the method and to the use of the computer program.

Abstract: The present invention relates to a computer-implemented method for calculating transition states of a chemical reaction, and to a system for data processing comprising means for carrying out the method, to a computer program comprising instructions which cause a computer to execute the method and to the use of the computer program.

Abstract: The invention relates to a method for producing an isocyanate, wherein a carbamate or thiolcarbomate is converted, in the presence of a catalyst, with separation of an alcohol or thioalcohol, at a temperature of at least 150° C., to the corresponding isocyanate, wherein a compound of the general formula (X)(Y)(Z—H) is used as a catalyst, in particular characterized in that the compound has both a proton donor function and a proton acceptor function. In the catalysts according to the invention, a separable proton is bound to a heteroatom, which is more electronegative than carbon. Said heteroatom is either identical to Z or a component thereof. In the catalysts according to the invention, there is additionally a proton acceptor function which is either identical to X or a component thereof. According to the invention, the proton donator and proton acceptor function are connected to each other by the bridge Y.

Abstract: The invention relates to a method for producing an isocyanate, wherein a carbamate or thiolcarbomate is converted, in the presence of a catalyst, with separation of an alcohol or thioalcohol, at a temperature of at least 150° C., to the corresponding isocyanate, wherein a compound of the general formula (X)(Y)(Z—H) is used as a catalyst, in particular characterized in that the compound has both a proton donor function and a proton acceptor function. In the catalysts according to the invention, a separable proton is bound to a heteroatom, which is more electronegative than carbon. Said heteroatom is either identical to Z or a component thereof. In the catalysts according to the invention, there is additionally a proton acceptor function which is either identical to X or a component thereof. According to the invention, the proton donator and proton acceptor function are connected to each other by the bridge Y.

Abstract: The invention relates to a method for producing a polyurethane polymer, comprising the step of reacting a polyol component with a polyisocyanate component, the polyol component comprising an oxymethylene polyol. The ratio of the polyol component to the polyisocyanate component is selected such that the polyurethane polymer obtained by the reaction has a content of oxymethylene groups from the oxymethylene polyol of ?11 wt. % to ?50 wt. %, preferably ?11 wt. % to ?45 wt. %, and the content of oxymethylene groups from the oxymethylene polyol is defined by means of proton resonance spectroscopy.

Abstract: The invention relates to a method for adding a compound (A) to an H-functional starting compound (BH) in the presence of a catalyst, wherein the at least one compound (A) is selected from at least one group consisting of alkylene oxide (A-1), lactone (A-2), lactide (A-3), cyclic acetal (A-4), lactam (A-5), cyclic anhydride (A-6) and oxygen-containing heterocyclic compound (A-7) different from (A-1), (A-2), (A-3), (A-4) and (A-6), wherein the catalyst comprises an organic, n-protic Brønsted acid (C), wherein n?2 and is an element of the natural numbers and the degree of protolysis D is 0<D<n, with n as the maximum number of transferable protons and D as the calculated proton fraction of the organic, n-protic Brønsted acid (C). The invention further relates to an n-protic Brønsted acid (C) having a degree of protolysis D of 0<D<n, wherein n is the maximum number of transferable protons, with n=2, 3 or 4, and D is the calculated proton fraction of the organic, n-protic Brønsted acid (C).