Borden WT - Search Results

1

Synchronized aromaticity as an enthalpic driving force for the aromatic Cope rearrangement.

Babinski DJ, Bao X, El Arba M, Chen B, Hrovat DA, Borden WT, Frantz DE. Babinski DJ, et al. Among authors: borden wt. J Am Chem Soc. 2012 Oct 3;134(39):16139-42. doi: 10.1021/ja307213m. Epub 2012 Sep 18. J Am Chem Soc. 2012. PMID: 22963196

2

Why does perfluorination render bicyclo[2.2.0]hex-1(4)-ene stable toward dimerization? Calculations provide the answers.

Shelton GR, Hrovat DA, Wei H, Borden WT. Shelton GR, et al. Among authors: borden wt. J Am Chem Soc. 2006 Sep 13;128(36):12020-7. doi: 10.1021/ja063848h. J Am Chem Soc. 2006. PMID: 16953645

3

Ab initio calculations of the potential surface for rearrangement of 2,2,3,3-tetrafluoromethylenecyclopropane to 1-(difluoromethylene)-2,2-difluorocyclopropane.

Wei H, Hrovat DA, Borden WT. Wei H, et al. Among authors: borden wt. J Am Chem Soc. 2006 Dec 27;128(51):16676-83. doi: 10.1021/ja065963y. J Am Chem Soc. 2006. PMID: 17177417

4

Tunneling in the 1,5-hydrogen shift reactions of 1,3-cyclopentadiene and 5-methyl-1,3-cyclopentadiene.

Shelton GR, Hrovat DA, Borden WT. Shelton GR, et al. Among authors: borden wt. J Am Chem Soc. 2007 Jan 10;129(1):164-8. doi: 10.1021/ja0664279. J Am Chem Soc. 2007. PMID: 17199295

5

Calculations of the effects of substituents on bond localization in annelated cyclopentadienyl radicals.

Zhou X, Hrovat DA, Borden WT. Zhou X, et al. Among authors: borden wt. J Am Chem Soc. 2007 Sep 5;129(35):10785-94. doi: 10.1021/ja072314t. Epub 2007 Aug 10. J Am Chem Soc. 2007. PMID: 17691731

6

Calculations of the effect of tunneling on the Swain-Schaad exponents (SSEs) for the 1,5-hydrogen shift in 5-methyl-1,3-cyclopentadiene. Can SSEs be used to diagnose the occurrence of tunneling?

Shelton GR, Hrovat DA, Borden WT. Shelton GR, et al. Among authors: borden wt. J Am Chem Soc. 2007 Dec 26;129(51):16115-8. doi: 10.1021/ja076132a. Epub 2007 Dec 4. J Am Chem Soc. 2007. PMID: 18052172

7

Calculations find that tunneling plays a major role in the reductive elimination of methane from hydridomethylbis(trimethylphosphine)platinum: how to confirm this computational prediction experimentally.

Datta A, Hrovat DA, Borden WT. Datta A, et al. Among authors: borden wt. J Am Chem Soc. 2008 Mar 5;130(9):2726-7. doi: 10.1021/ja710260v. Epub 2008 Feb 12. J Am Chem Soc. 2008. PMID: 18266369

8

Calculations predict rapid tunneling by carbon from the vibrational ground state in the ring opening of cyclopropylcarbinyl radical at cryogenic temperatures.

Datta A, Hrovat DA, Borden WT. Datta A, et al. Among authors: borden wt. J Am Chem Soc. 2008 May 28;130(21):6684-5. doi: 10.1021/ja801089p. Epub 2008 May 1. J Am Chem Soc. 2008. PMID: 18447359

9

Calculations predict a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.

Zhang X, Datta A, Hrovat DA, Borden WT. Zhang X, et al. Among authors: borden wt. J Am Chem Soc. 2009 Nov 11;131(44):16002-3. doi: 10.1021/ja907406q. J Am Chem Soc. 2009. PMID: 19831346

10

Negative ion photoelectron spectroscopy confirms the prediction that (CO)5 and (CO)6 each has a singlet ground state.

Bao X, Hrovat DA, Borden WT, Wang XB. Bao X, et al. Among authors: borden wt. J Am Chem Soc. 2013 Mar 20;135(11):4291-8. doi: 10.1021/ja4005128. Epub 2013 Mar 7. J Am Chem Soc. 2013. PMID: 23445075

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