Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Carl R. Kemnitz"'
Publikováno v:
Organometallics. 31:70-84
We report novel photochemistry derived from (η5-C5H5)Mn(CO)3 (1a), (η5-C5H4Me)Mn(CO)3 (1b),(η5-C5Me5)Mn(CO)3 (1c), and (η5-indenyl)Mn(CO)3 (1d). Photolysis (>261 nm, 1 h) of the parent tricarbonyl (1a–d), matrix isolated in argon at 10 K, yield
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2780730081995423cabef31d35decd5
https://doi.org/10.1021/om200555e
https://doi.org/10.1021/om200555e
Autor:
Adam F. Nielsen, Mark J. Loewen, Joel L. Mackey, Carl R. Kemnitz, Julie L. Hargrove, Joshua L. Lewis, Whitney E. Hawkins
Publikováno v:
Chemistry - A European Journal. 16:6942-6949
The potential origins of stability in branched alkanes are investigated, paying close attention to two recent hypotheses: geminal steric repulsion and protobranching. All alkane isomers through C(6)H(14) along with heptane and octane were investigate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5255229b72d000b2ddbc19021f03898b
https://doi.org/10.1002/chem.200902550
https://doi.org/10.1002/chem.200902550
Autor:
Carl R. Kemnitz
Publikováno v:
Chemistry - A European Journal. 19:11093-11095
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5c6043c22eef52fcc23f64fd8784714
https://doi.org/10.1002/chem.201302549
https://doi.org/10.1002/chem.201302549
Autor:
Nina P. Gritsan, Weston Thatcher Borden, Nil Çelebi, and Carl R. Kemnitz, William L. Karney, Igor Likhotvorik, Meng-Lin Tsao, Matthew S. Platz
Publikováno v:
Journal of the American Chemical Society. 123:1425-1433
On the basis of the open-shell electronic structure of the lowest-singlet state of phenylnitrene, it is predicted that substitution of a radical-stabilizing cyano group at an ortho carbon should facilitate cyclization at that carbon, whereas cyano su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fa58a43c8e04c96ca19fe299c7b1c59
https://doi.org/10.1021/ja002594b
https://doi.org/10.1021/ja002594b
Publikováno v:
Journal of the American Chemical Society. 122:1098-1101
(12/11)CASSCF and (12/11)CASPT2 ab initio electronic structure calculations with both the cc-pVDZ and cc-pVTZ basis sets find that there is a barrier to the very exothermic hydrogen shift that converts singlet methylnitrene, CH3N, to methyleneimine,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f66bcc77e9445433098a2edb36a6d8bf
https://doi.org/10.1021/ja9907257
https://doi.org/10.1021/ja9907257
Publikováno v:
Journal of the American Chemical Society. 120:3499-3503
High level ab initio calculations find that nitrenes are more stable than carbenes, as indicated by the computed enthalpy differences of 25−26 kcal/mol between triplet phenylnitrene and the isomeric triplet pyridylcarbenes. More generally, the grea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7132fb21130021e566204ef9564e6983
https://doi.org/10.1021/ja973935x
https://doi.org/10.1021/ja973935x
Autor:
Franklin P. DeHaan, Bimal R. Patel, Jim Na, Steven K. Ma, Paul Y. Ahn, Carl R. Kemnitz, Richard M. Ruiz, Randy M. Villahermosa
Publikováno v:
International Journal of Chemical Kinetics. 30:367-372
Vacuum line kinetic studies of the reaction of p-toluenesulfonyl chloride and benzene or toluene, using aluminum chloride as the catalyst and dichloromethane as the solvent were determined at 25°C by means of gas chromatography. The reaction is firs
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5326fcc8aa6f35cd450e1c3f5fcdf0ff
https://doi.org/10.1002/(sici)1097-4601(1998)30:5<367::aid-kin7>3.0.co
https://doi.org/10.1002/(sici)1097-4601(1998)30:5<367::aid-kin7>3.0.co
Publikováno v:
Journal of the American Chemical Society. 119:6564-6574
The results of ab initio calculations on 1,3,5-trimethylenebenzene (1) and its negative ion (1-) are presented. Geometries were optimized at the CASSCF/6-31G* and CASSCF/6-31+G* levels. Single-point calculations were performed using second-order pert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::854410c6c6ed49b72bab9a0d8e6a85d9
https://doi.org/10.1021/ja970195j
https://doi.org/10.1021/ja970195j
Publikováno v:
Inorganic Chemistry. 31:5474-5479
Protonation of K[C[sub 5]H[sub 5](CO)[sub 2]ReH] with CF[sub 3]CO[sub 2]H at [minus]78[degrees]C produced a 65:35 mixture of cis-C[sub 5]H[sub 5](CO)[sub 2]ReH[sub 2] (cis-1) and trans-C[sub 5]H[sub 5](CO)[sub 2]ReH[sub 2] (trans-1). At 24[degrees]C,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e7f7875fc28b58476af04a34b101787
https://doi.org/10.1021/ic00052a024
https://doi.org/10.1021/ic00052a024
Autor:
Carl R. Kemnitz, Mark J. Loewen
Publikováno v:
Journal of the American Chemical Society. 129(9)
Complete basis set calculations (CBS-QB3) were used to compute the CN rotation barriers for acetamide and eight related compounds, including acetamide enolate and O-protonated acetamide. Natural resonance theory analysis was employed to quantify the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95a6de68fbcc156bafecbb7edc7dc99d
https://pubmed.ncbi.nlm.nih.gov/17295481
https://pubmed.ncbi.nlm.nih.gov/17295481